2-methylpentane-1,5-diamine;dihydrochloride

C6H18Cl2N2 — CID 87520320

IUPAC2-methylpentane-1,5-diamine;dihydrochloride
SMILESCC(CN)CCCN.Cl.Cl
InChIInChI=1S/C6H16N2.2ClH/c1-6(5-8)3-2-4-7;;/h6H,2-5,7-8H2,1H3;2*1H
InChIKeyAPTRWOLNEUAQEI-UHFFFAOYSA-N
MW189.13 g/mol
LogP1.16
Rot. Bonds4

About 2-methylpentane-1,5-diamine;dihydrochloride

2-methylpentane-1,5-diamine;dihydrochloride (PubChem CID 87520320) has the molecular formula C6H18Cl2N2 and a molecular weight of 189.13 g/mol. Its IUPAC name is 2-methylpentane-1,5-diamine;dihydrochloride.

Molecular Properties

Compound Name2-methylpentane-1,5-diamine;dihydrochloride
PubChem CID87520320
Molecular FormulaC6H18Cl2N2
Molecular Weight189.13 g/mol
Exact Mass188.08
IUPAC Name2-methylpentane-1,5-diamine;dihydrochloride
SMILESCC(CN)CCCN.Cl.Cl
InChIInChI=1S/C6H16N2.2ClH/c1-6(5-8)3-2-4-7;;/h6H,2-5,7-8H2,1H3;2*1H
InChIKeyAPTRWOLNEUAQEI-UHFFFAOYSA-N
XLogP1.16
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylpentanediamine
CID 85862
Isohexylamine
CID 219608
1-Pentanamine, 2-methyl-
CID 99014
5-Methylhexan-1-amine
CID 15267850
(racemic+meso) 2-Methyl-pentane-1,4-diamine
CID 15599591
3-Methylpentane-1,5-diamine
CID 14753826
3-Methylpentan-1-amine hydrochloride
CID 12294005
4-Methylpentan-1-amine hydrochloride
CID 12655789
2-Methylpentan-1-amine hydrochloride
CID 12720703
2,4-Dimethylpentan-1-amine
CID 18987919
5-Methylhexan-1-amine hydrochloride
CID 53534931
3-Ethylpentan-1-amine;hydrochloride
CID 87348316

Frequently Asked Questions

What is the IUPAC name of 2-methylpentane-1,5-diamine;dihydrochloride?
The IUPAC name of 2-methylpentane-1,5-diamine;dihydrochloride (CID 87520320) is 2-methylpentane-1,5-diamine;dihydrochloride.
What is the SMILES notation for 2-methylpentane-1,5-diamine;dihydrochloride?
The canonical SMILES for 2-methylpentane-1,5-diamine;dihydrochloride is CC(CN)CCCN.Cl.Cl.
What is the InChIKey of 2-methylpentane-1,5-diamine;dihydrochloride?
The InChIKey is APTRWOLNEUAQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.2ClH/c1-6(5-8)3-2-4-7;;/h6H,2-5,7-8H2,1H3;2*1H.
What are the key properties of 2-methylpentane-1,5-diamine;dihydrochloride?
2-methylpentane-1,5-diamine;dihydrochloride has a molecular weight of 189.13 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentane-1,5-diamine;dihydrochloride is sourced from PubChem (CID 87520320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).