N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine

C11H18ClN3 — CID 106155235

IUPACN'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine
SMILESCC(CN)CCCNc1ccncc1Cl
InChIInChI=1S/C11H18ClN3/c1-9(7-13)3-2-5-15-11-4-6-14-8-10(11)12/h4,6,8-9H,2-3,5,7,13H2,1H3,(H,14,15)
InChIKeyDQUFZPKKDPIKIF-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.52
Rot. Bonds6

About N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine

N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine (PubChem CID 106155235) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine
PubChem CID106155235
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine
SMILESCC(CN)CCCNc1ccncc1Cl
InChIInChI=1S/C11H18ClN3/c1-9(7-13)3-2-5-15-11-4-6-14-8-10(11)12/h4,6,8-9H,2-3,5,7,13H2,1H3,(H,14,15)
InChIKeyDQUFZPKKDPIKIF-UHFFFAOYSA-N
XLogP2.52
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.52
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

3-chloro-N-(4-methylpentyl)pyridin-4-amine
CID 79839670
3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine
CID 106155271
3-chloro-N-(6-chlorohexyl)pyridin-4-amine
CID 107846107
3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine
CID 79839685
3-chloro-N-hex-5-ynylpyridin-4-amine
CID 103757339
3-chloro-N-(3-phenylpropyl)pyridin-4-amine
CID 79770520
3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine
CID 106306323
N-(3-chloro-4-pyridinyl)-2-propylbutane-1,4-diamine
CID 106116507
1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine
CID 115303812
3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine
CID 115680988
methyl 6-[(3-chloro-4-pyridinyl)amino]hexanoate
CID 79840643

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine?
The IUPAC name of N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine (CID 106155235) is N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine.
What is the SMILES notation for N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine?
The canonical SMILES for N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine is CC(CN)CCCNc1ccncc1Cl.
What is the InChIKey of N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine?
The InChIKey is DQUFZPKKDPIKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-9(7-13)3-2-5-15-11-4-6-14-8-10(11)12/h4,6,8-9H,2-3,5,7,13H2,1H3,(H,14,15).
What are the key properties of N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine?
N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine has a molecular weight of 227.74 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine is sourced from PubChem (CID 106155235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).