5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine

C17H30N4 — CID 115981865

IUPAC5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine
SMILESCc1cccnc1CN1CCCN(CCCCCN)CC1
InChIInChI=1S/C17H30N4/c1-16-7-5-9-19-17(16)15-21-12-6-11-20(13-14-21)10-4-2-3-8-18/h5,7,9H,2-4,6,8,10-15,18H2,1H3
InChIKeyFDGRCFQINSTRMI-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.03
Rot. Bonds7

About 5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine

5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine (PubChem CID 115981865) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine
PubChem CID115981865
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine
SMILESCc1cccnc1CN1CCCN(CCCCCN)CC1
InChIInChI=1S/C17H30N4/c1-16-7-5-9-19-17(16)15-21-12-6-11-20(13-14-21)10-4-2-3-8-18/h5,7,9H,2-4,6,8,10-15,18H2,1H3
InChIKeyFDGRCFQINSTRMI-UHFFFAOYSA-N
XLogP2.03
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine with MolForge

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Related Compounds

4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 62254406
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
[4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine
CID 107160723
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 115982052
[2-(azetidin-1-ylmethyl)-3-pyridinyl]methanamine
CID 105437205
6-(azetidin-1-yl)hexan-1-amine
CID 18952651
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
5-(4-pyridazin-3-yl-1,4-diazepan-1-yl)pentan-1-amine
CID 55079861
3,3-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 64950592
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
3-[4-(3-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
CID 62734905

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine?
The IUPAC name of 5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine (CID 115981865) is 5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine.
What is the SMILES notation for 5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine?
The canonical SMILES for 5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine is Cc1cccnc1CN1CCCN(CCCCCN)CC1.
What is the InChIKey of 5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine?
The InChIKey is FDGRCFQINSTRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-16-7-5-9-19-17(16)15-21-12-6-11-20(13-14-21)10-4-2-3-8-18/h5,7,9H,2-4,6,8,10-15,18H2,1H3.
What are the key properties of 5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine?
5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine is sourced from PubChem (CID 115981865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).