N-methyl-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine

C13H26N2 — CID 117205765

IUPACN-methyl-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine
SMILESCNCCCCC1=CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2/c1-12(2)15-10-7-13(8-11-15)6-4-5-9-14-3/h7,12,14H,4-6,8-11H2,1-3H3
InChIKeyRRRATFVSRXBDRC-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.42
Rot. Bonds6

About N-methyl-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine

N-methyl-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine (PubChem CID 117205765) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-methyl-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine
PubChem CID117205765
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-methyl-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine
SMILESCNCCCCC1=CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2/c1-12(2)15-10-7-13(8-11-15)6-4-5-9-14-3/h7,12,14H,4-6,8-11H2,1-3H3
InChIKeyRRRATFVSRXBDRC-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine
CID 117205763
4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 117205525
4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 122599461
N-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]cyclopentanamine
CID 117205505
5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine
CID 114413427
ethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 166546302
N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
CID 62431627
1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone
CID 117205955
N-tert-butyl-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 114413425
4-(2-methylpropyl)-1-propan-2-yl-2,3,6,7-tetrahydroazepine
CID 123933738
4-(fluoromethyl)-1-propan-2-yl-2,3,6,7-tetrahydroazepine
CID 178173389
N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
CID 114413418

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine?
The IUPAC name of N-methyl-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine (CID 117205765) is N-methyl-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine.
What is the SMILES notation for N-methyl-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine?
The canonical SMILES for N-methyl-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine is CNCCCCC1=CCN(C(C)C)CC1.
What is the InChIKey of N-methyl-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine?
The InChIKey is RRRATFVSRXBDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-12(2)15-10-7-13(8-11-15)6-4-5-9-14-3/h7,12,14H,4-6,8-11H2,1-3H3.
What are the key properties of N-methyl-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine?
N-methyl-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine is sourced from PubChem (CID 117205765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).