3-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine

C16H28N4 — CID 43253284

IUPAC3-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCCN(Cc2ccncc2)CC1
InChIInChI=1S/C16H28N4/c1-2-16(4-7-17)20-11-3-10-19(12-13-20)14-15-5-8-18-9-6-15/h5-6,8-9,16H,2-4,7,10-14,17H2,1H3
InChIKeyGOWMJWOTXTVDCP-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.72
Rot. Bonds6

About 3-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine

3-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine (PubChem CID 43253284) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 3-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine
PubChem CID43253284
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name3-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCCN(Cc2ccncc2)CC1
InChIInChI=1S/C16H28N4/c1-2-16(4-7-17)20-11-3-10-19(12-13-20)14-15-5-8-18-9-6-15/h5-6,8-9,16H,2-4,7,10-14,17H2,1H3
InChIKeyGOWMJWOTXTVDCP-UHFFFAOYSA-N
XLogP1.72
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine
CID 62125988
3-(4-octyl-1,4-diazepan-1-yl)pentan-1-amine
CID 43253288
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine
CID 23935430
3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43367610
(2R)-2-(3,4-dimethylphenyl)-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 97206528
5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one
CID 104684308
2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 62823811
2-(3-ethoxyphenyl)-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 72916964
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol
CID 65277904
2-(pyridin-4-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79006212
3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 61375225

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine?
The IUPAC name of 3-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine (CID 43253284) is 3-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine?
The canonical SMILES for 3-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine is CCC(CCN)N1CCCN(Cc2ccncc2)CC1.
What is the InChIKey of 3-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine?
The InChIKey is GOWMJWOTXTVDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-2-16(4-7-17)20-11-3-10-19(12-13-20)14-15-5-8-18-9-6-15/h5-6,8-9,16H,2-4,7,10-14,17H2,1H3.
What are the key properties of 3-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine?
3-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine is sourced from PubChem (CID 43253284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).