N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine

C16H27N3 — CID 105073921

IUPACN-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccncc1N1CCCC(C)CC1
InChIInChI=1S/C16H27N3/c1-3-8-17-12-15-6-9-18-13-16(15)19-10-4-5-14(2)7-11-19/h6,9,13-14,17H,3-5,7-8,10-12H2,1-2H3
InChIKeyFLWYZHAWOGMYPP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.21
Rot. Bonds5

About N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine

N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105073921) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine
PubChem CID105073921
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccncc1N1CCCC(C)CC1
InChIInChI=1S/C16H27N3/c1-3-8-17-12-15-6-9-18-13-16(15)19-10-4-5-14(2)7-11-19/h6,9,13-14,17H,3-5,7-8,10-12H2,1-2H3
InChIKeyFLWYZHAWOGMYPP-UHFFFAOYSA-N
XLogP3.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 105073924
N-[[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105073711
N-methyl-1-[3-(4-methylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 105072597
N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 105074044
N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 105072608
N-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105074117
N-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81248433
N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine
CID 105074040
N-[[3-(7,7-dimethyl-1,4-thiazepan-4-yl)-4-pyridinyl]methyl]propan-1-amine
CID 107459559
N-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81247994
N-[[3-fluoro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388775
N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105072821

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine (CID 105073921) is N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccncc1N1CCCC(C)CC1.
What is the InChIKey of N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is FLWYZHAWOGMYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-8-17-12-15-6-9-18-13-16(15)19-10-4-5-14(2)7-11-19/h6,9,13-14,17H,3-5,7-8,10-12H2,1-2H3.
What are the key properties of N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine?
N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105073921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).