2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine

C17H32N4 — CID 62610535

IUPAC2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1CN(C)Cc1cnn(C)c1
InChIInChI=1S/C17H32N4/c1-4-10-18-17-9-7-5-6-8-16(17)14-20(2)12-15-11-19-21(3)13-15/h11,13,16-18H,4-10,12,14H2,1-3H3
InChIKeyIQBHMWSKLDYJEK-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.80
Rot. Bonds7

About 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine

2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine (PubChem CID 62610535) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine
PubChem CID62610535
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1CN(C)Cc1cnn(C)c1
InChIInChI=1S/C17H32N4/c1-4-10-18-17-9-7-5-6-8-16(17)14-20(2)12-15-11-19-21(3)13-15/h11,13,16-18H,4-10,12,14H2,1-3H3
InChIKeyIQBHMWSKLDYJEK-UHFFFAOYSA-N
XLogP2.80
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine
CID 62610534
2-[(1-methylpyrazol-4-yl)methyl]-N-propylcyclopentan-1-amine
CID 62127989
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 62617070
2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615844
N-ethyl-2,2-dimethyl-6-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 79842887
2-(chloromethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 106365346
N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine
CID 62615411
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propylethane-1,2-diamine
CID 61441962
2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62609650
2-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 106365328
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55094427
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 62610810

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine?
The IUPAC name of 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine (CID 62610535) is 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1CN(C)Cc1cnn(C)c1.
What is the InChIKey of 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine?
The InChIKey is IQBHMWSKLDYJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-4-10-18-17-9-7-5-6-8-16(17)14-20(2)12-15-11-19-21(3)13-15/h11,13,16-18H,4-10,12,14H2,1-3H3.
What are the key properties of 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine?
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine is sourced from PubChem (CID 62610535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).