4-N,4-N,6-trimethylheptane-1,4-diamine

C10H24N2 — CID 116905112

IUPAC4-N,4-N,6-trimethylheptane-1,4-diamine
SMILESCC(C)CC(CCCN)N(C)C
InChIInChI=1S/C10H24N2/c1-9(2)8-10(12(3)4)6-5-7-11/h9-10H,5-8,11H2,1-4H3
InChIKeyPKOIYRVCJODFQV-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.70
Rot. Bonds6

About 4-N,4-N,6-trimethylheptane-1,4-diamine

4-N,4-N,6-trimethylheptane-1,4-diamine (PubChem CID 116905112) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 4-N,4-N,6-trimethylheptane-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N,6-trimethylheptane-1,4-diamine
PubChem CID116905112
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name4-N,4-N,6-trimethylheptane-1,4-diamine
SMILESCC(C)CC(CCCN)N(C)C
InChIInChI=1S/C10H24N2/c1-9(2)8-10(12(3)4)6-5-7-11/h9-10H,5-8,11H2,1-4H3
InChIKeyPKOIYRVCJODFQV-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine
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4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine
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2-N,2-N-dimethylbutane-1,2,4-triamine
CID 18471403
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423
2-N,2-N,4-trimethyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 43207889
4,7-dimethyloctan-1-amine
CID 123439711
N,N,11-trimethylpentacosan-13-amine;hydrochloride
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CID 103391711

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,6-trimethylheptane-1,4-diamine?
The IUPAC name of 4-N,4-N,6-trimethylheptane-1,4-diamine (CID 116905112) is 4-N,4-N,6-trimethylheptane-1,4-diamine.
What is the SMILES notation for 4-N,4-N,6-trimethylheptane-1,4-diamine?
The canonical SMILES for 4-N,4-N,6-trimethylheptane-1,4-diamine is CC(C)CC(CCCN)N(C)C.
What is the InChIKey of 4-N,4-N,6-trimethylheptane-1,4-diamine?
The InChIKey is PKOIYRVCJODFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-9(2)8-10(12(3)4)6-5-7-11/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 4-N,4-N,6-trimethylheptane-1,4-diamine?
4-N,4-N,6-trimethylheptane-1,4-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,6-trimethylheptane-1,4-diamine is sourced from PubChem (CID 116905112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).