1-N-pyridin-4-ylpentane-1,4-diamine

C10H17N3 — CID 106127738

IUPAC1-N-pyridin-4-ylpentane-1,4-diamine
SMILESCC(N)CCCNc1ccncc1
InChIInChI=1S/C10H17N3/c1-9(11)3-2-6-13-10-4-7-12-8-5-10/h4-5,7-9H,2-3,6,11H2,1H3,(H,12,13)
InChIKeyIDOHZHJFOCRUFA-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.62
Rot. Bonds5

About 1-N-pyridin-4-ylpentane-1,4-diamine

1-N-pyridin-4-ylpentane-1,4-diamine (PubChem CID 106127738) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-N-pyridin-4-ylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-pyridin-4-ylpentane-1,4-diamine
PubChem CID106127738
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-N-pyridin-4-ylpentane-1,4-diamine
SMILESCC(N)CCCNc1ccncc1
InChIInChI=1S/C10H17N3/c1-9(11)3-2-6-13-10-4-7-12-8-5-10/h4-5,7-9H,2-3,6,11H2,1H3,(H,12,13)
InChIKeyIDOHZHJFOCRUFA-UHFFFAOYSA-N
XLogP1.62
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dipyridin-4-ylheptane-1,7-diamine
CID 23645208
4-methyl-1-N-pyridin-4-ylpentane-1,4-diamine
CID 115205190
N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine
CID 62662678
N-(4-chlorobutyl)pyridin-4-amine
CID 106845129
N-(15,15-dimethylhexadecyl)pyridin-4-amine
CID 173437597
2-methyl-4-(pyridin-4-ylamino)butanoic acid
CID 80539478
1-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 106127854
1-N-(2,4-difluorophenyl)pentane-1,4-diamine
CID 115203586
3-(pyridin-4-ylamino)propyl hypoiodite
CID 143003434
1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine
CID 106127389
1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine
CID 106127704
1-N-(1,2-dimethylbenzimidazol-5-yl)pentane-1,4-diamine
CID 115203627

Frequently Asked Questions

What is the IUPAC name of 1-N-pyridin-4-ylpentane-1,4-diamine?
The IUPAC name of 1-N-pyridin-4-ylpentane-1,4-diamine (CID 106127738) is 1-N-pyridin-4-ylpentane-1,4-diamine.
What is the SMILES notation for 1-N-pyridin-4-ylpentane-1,4-diamine?
The canonical SMILES for 1-N-pyridin-4-ylpentane-1,4-diamine is CC(N)CCCNc1ccncc1.
What is the InChIKey of 1-N-pyridin-4-ylpentane-1,4-diamine?
The InChIKey is IDOHZHJFOCRUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9(11)3-2-6-13-10-4-7-12-8-5-10/h4-5,7-9H,2-3,6,11H2,1H3,(H,12,13).
What are the key properties of 1-N-pyridin-4-ylpentane-1,4-diamine?
1-N-pyridin-4-ylpentane-1,4-diamine has a molecular weight of 179.27 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-pyridin-4-ylpentane-1,4-diamine is sourced from PubChem (CID 106127738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).