N-[[2-(azepan-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine

C17H29N3 — CID 62286638

IUPACN-[[2-(azepan-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1c(C)cc(C)nc1N1CCCCCC1
InChIInChI=1S/C17H29N3/c1-4-9-18-13-16-14(2)12-15(3)19-17(16)20-10-7-5-6-8-11-20/h12,18H,4-11,13H2,1-3H3
InChIKeyOMDPQJXMFPNIQA-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.58
Rot. Bonds5

About N-[[2-(azepan-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine

N-[[2-(azepan-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62286638) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-(azepan-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(azepan-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID62286638
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[2-(azepan-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1c(C)cc(C)nc1N1CCCCCC1
InChIInChI=1S/C17H29N3/c1-4-9-18-13-16-14(2)12-15(3)19-17(16)20-10-7-5-6-8-11-20/h12,18H,4-11,13H2,1-3H3
InChIKeyOMDPQJXMFPNIQA-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.58
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-[[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
CID 62289436
N-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62284915
N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
CID 62281276
N-[(4,6-dimethyl-2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 62286271
N-[[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62294676
N-[[4,6-dimethyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62285741
N-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629285
N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 63159924
N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629075
N-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81248493
N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
CID 62287174
N-[[4-(azocan-1-yl)-2-methylphenyl]methyl]propan-1-amine
CID 62134161

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azepan-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(azepan-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine (CID 62286638) is N-[[2-(azepan-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(azepan-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(azepan-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine is CCCNCc1c(C)cc(C)nc1N1CCCCCC1.
What is the InChIKey of N-[[2-(azepan-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is OMDPQJXMFPNIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-9-18-13-16-14(2)12-15(3)19-17(16)20-10-7-5-6-8-11-20/h12,18H,4-11,13H2,1-3H3.
What are the key properties of N-[[2-(azepan-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine?
N-[[2-(azepan-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azepan-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62286638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).