1-N-(4,4-dimethylpentyl)-1-N,3-dimethylpentane-1,3-diamine

C14H32N2 — CID 170052934

IUPAC1-N-(4,4-dimethylpentyl)-1-N,3-dimethylpentane-1,3-diamine
SMILESCCC(C)(N)CCN(C)CCCC(C)(C)C
InChIInChI=1S/C14H32N2/c1-7-14(5,15)10-12-16(6)11-8-9-13(2,3)4/h7-12,15H2,1-6H3
InChIKeyANPADAKCIBMOJG-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.26
Rot. Bonds7

About 1-N-(4,4-dimethylpentyl)-1-N,3-dimethylpentane-1,3-diamine

1-N-(4,4-dimethylpentyl)-1-N,3-dimethylpentane-1,3-diamine (PubChem CID 170052934) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-N-(4,4-dimethylpentyl)-1-N,3-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-(4,4-dimethylpentyl)-1-N,3-dimethylpentane-1,3-diamine
PubChem CID170052934
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-N-(4,4-dimethylpentyl)-1-N,3-dimethylpentane-1,3-diamine
SMILESCCC(C)(N)CCN(C)CCCC(C)(C)C
InChIInChI=1S/C14H32N2/c1-7-14(5,15)10-12-16(6)11-8-9-13(2,3)4/h7-12,15H2,1-6H3
InChIKeyANPADAKCIBMOJG-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4,4-dimethylpentyl)-1-N,3-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-(4,4-dimethylpentyl)-1-N,3-dimethylpentane-1,3-diamine (CID 170052934) is 1-N-(4,4-dimethylpentyl)-1-N,3-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-(4,4-dimethylpentyl)-1-N,3-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-(4,4-dimethylpentyl)-1-N,3-dimethylpentane-1,3-diamine is CCC(C)(N)CCN(C)CCCC(C)(C)C.
What is the InChIKey of 1-N-(4,4-dimethylpentyl)-1-N,3-dimethylpentane-1,3-diamine?
The InChIKey is ANPADAKCIBMOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-7-14(5,15)10-12-16(6)11-8-9-13(2,3)4/h7-12,15H2,1-6H3.
What are the key properties of 1-N-(4,4-dimethylpentyl)-1-N,3-dimethylpentane-1,3-diamine?
1-N-(4,4-dimethylpentyl)-1-N,3-dimethylpentane-1,3-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4,4-dimethylpentyl)-1-N,3-dimethylpentane-1,3-diamine is sourced from PubChem (CID 170052934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).