4-methylpentane-1,1-diamine;dihydrochloride

C6H18Cl2N2 — CID 87818690

IUPAC4-methylpentane-1,1-diamine;dihydrochloride
SMILESCC(C)CCC(N)N.Cl.Cl
InChIInChI=1S/C6H16N2.2ClH/c1-5(2)3-4-6(7)8;;/h5-6H,3-4,7-8H2,1-2H3;2*1H
InChIKeyJOJOFOBRMKRFGA-UHFFFAOYSA-N
MW189.13 g/mol
LogP1.51
Rot. Bonds3

About 4-methylpentane-1,1-diamine;dihydrochloride

4-methylpentane-1,1-diamine;dihydrochloride (PubChem CID 87818690) has the molecular formula C6H18Cl2N2 and a molecular weight of 189.13 g/mol. Its IUPAC name is 4-methylpentane-1,1-diamine;dihydrochloride.

Molecular Properties

Compound Name4-methylpentane-1,1-diamine;dihydrochloride
PubChem CID87818690
Molecular FormulaC6H18Cl2N2
Molecular Weight189.13 g/mol
Exact Mass188.08
IUPAC Name4-methylpentane-1,1-diamine;dihydrochloride
SMILESCC(C)CCC(N)N.Cl.Cl
InChIInChI=1S/C6H16N2.2ClH/c1-5(2)3-4-6(7)8;;/h5-6H,3-4,7-8H2,1-2H3;2*1H
InChIKeyJOJOFOBRMKRFGA-UHFFFAOYSA-N
XLogP1.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,8-dimethylnonan-5-amine
CID 15030000
17-methyloctadecane-1,1-diamine
CID 154316058
1-chloro-4-methylpentan-1-amine
CID 147653436
(3S)-3-amino-6-methylheptan-2-one
CID 88561356
(2S)-2-amino-5-methylhexane-1,1-diol
CID 134578683
2,3,7-trimethyloctan-4-amine
CID 115834649
1,1-difluoro-5-methylhexan-2-amine
CID 103759774
2,9-dimethyl-5,6-bis(3-methylbutyl)decane
CID 139994880
2,8-dimethyl-5-(3-methylbutyl)nonane
CID 57230829
2-methylheptane;propan-2-amine;hydrochloride
CID 20975779
5-methyl-1-methylsulfanylhexan-2-amine
CID 62693394
2,34-dimethylpentatriacontan-18-amine
CID 141007495

Frequently Asked Questions

What is the IUPAC name of 4-methylpentane-1,1-diamine;dihydrochloride?
The IUPAC name of 4-methylpentane-1,1-diamine;dihydrochloride (CID 87818690) is 4-methylpentane-1,1-diamine;dihydrochloride.
What is the SMILES notation for 4-methylpentane-1,1-diamine;dihydrochloride?
The canonical SMILES for 4-methylpentane-1,1-diamine;dihydrochloride is CC(C)CCC(N)N.Cl.Cl.
What is the InChIKey of 4-methylpentane-1,1-diamine;dihydrochloride?
The InChIKey is JOJOFOBRMKRFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.2ClH/c1-5(2)3-4-6(7)8;;/h5-6H,3-4,7-8H2,1-2H3;2*1H.
What are the key properties of 4-methylpentane-1,1-diamine;dihydrochloride?
4-methylpentane-1,1-diamine;dihydrochloride has a molecular weight of 189.13 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentane-1,1-diamine;dihydrochloride is sourced from PubChem (CID 87818690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).