1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine

C18H32N4 — CID 46986205

IUPAC1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine
SMILESCCCc1cc(CN(C)C[C@@H]2CCCN3CCCC[C@H]23)[nH]n1
InChIInChI=1S/C18H32N4/c1-3-7-16-12-17(20-19-16)14-21(2)13-15-8-6-11-22-10-5-4-9-18(15)22/h12,15,18H,3-11,13-14H2,1-2H3,(H,19,20)/t15-,18+/m0/s1
InChIKeyNXZLGROVDLNIIZ-MAUKXSAKSA-N
MW304.48 g/mol
LogP3.06
Rot. Bonds6

About 1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine

1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine (PubChem CID 46986205) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine
PubChem CID46986205
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine
SMILESCCCc1cc(CN(C)C[C@@H]2CCCN3CCCC[C@H]23)[nH]n1
InChIInChI=1S/C18H32N4/c1-3-7-16-12-17(20-19-16)14-21(2)13-15-8-6-11-22-10-5-4-9-18(15)22/h12,15,18H,3-11,13-14H2,1-2H3,(H,19,20)/t15-,18+/m0/s1
InChIKeyNXZLGROVDLNIIZ-MAUKXSAKSA-N
XLogP3.06
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine
CID 786815
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1-isobutyl-4-{1-[(3-methyl-1H-pyrazol-5-yl)methyl]-3-pyrrolidinyl}piperidine
CID 45194228
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-isopropyl-1H-pyrazol-5-yl)piperidine
CID 56710882
1-isobutyl-N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]piperidin-4-amine
CID 56712928
N,2,2,6,6-Pentamethyl-N-[(5-propyl-1H-pyrazol-3-YL)methyl]piperidin-4-amine
CID 56748665
2-(4-methylpiperazin-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926769
3-(3-methyl-1H-pyrazol-5-yl)piperidine hydrochloride
CID 112756464
3-(5-methyl-1H-pyrazol-3-yl)piperidine
CID 71695335
(3S)-N,1-dimethyl-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine
CID 100037021
1-[[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine
CID 164636403
1-propan-2-yl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 121458459

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine (CID 46986205) is 1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine is CCCc1cc(CN(C)C[C@@H]2CCCN3CCCC[C@H]23)[nH]n1.
What is the InChIKey of 1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine?
The InChIKey is NXZLGROVDLNIIZ-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H32N4/c1-3-7-16-12-17(20-19-16)14-21(2)13-15-8-6-11-22-10-5-4-9-18(15)22/h12,15,18H,3-11,13-14H2,1-2H3,(H,19,20)/t15-,18+/m0/s1.
What are the key properties of 1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine?
1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine has a molecular weight of 304.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 46986205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).