4-N-(2,2-dimethylpropyl)-2-N-ethyl-4-N-methylpentane-2,4-diamine

C13H30N2 — CID 64707421

IUPAC4-N-(2,2-dimethylpropyl)-2-N-ethyl-4-N-methylpentane-2,4-diamine
SMILESCCNC(C)CC(C)N(C)CC(C)(C)C
InChIInChI=1S/C13H30N2/c1-8-14-11(2)9-12(3)15(7)10-13(4,5)6/h11-12,14H,8-10H2,1-7H3
InChIKeyOFHMCCWMKWFJQS-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.74
Rot. Bonds6

About 4-N-(2,2-dimethylpropyl)-2-N-ethyl-4-N-methylpentane-2,4-diamine

4-N-(2,2-dimethylpropyl)-2-N-ethyl-4-N-methylpentane-2,4-diamine (PubChem CID 64707421) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 4-N-(2,2-dimethylpropyl)-2-N-ethyl-4-N-methylpentane-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylpropyl)-2-N-ethyl-4-N-methylpentane-2,4-diamine
PubChem CID64707421
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name4-N-(2,2-dimethylpropyl)-2-N-ethyl-4-N-methylpentane-2,4-diamine
SMILESCCNC(C)CC(C)N(C)CC(C)(C)C
InChIInChI=1S/C13H30N2/c1-8-14-11(2)9-12(3)15(7)10-13(4,5)6/h11-12,14H,8-10H2,1-7H3
InChIKeyOFHMCCWMKWFJQS-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylpropyl)-2-N-ethyl-4-N-methylpentane-2,4-diamine?
The IUPAC name of 4-N-(2,2-dimethylpropyl)-2-N-ethyl-4-N-methylpentane-2,4-diamine (CID 64707421) is 4-N-(2,2-dimethylpropyl)-2-N-ethyl-4-N-methylpentane-2,4-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylpropyl)-2-N-ethyl-4-N-methylpentane-2,4-diamine?
The canonical SMILES for 4-N-(2,2-dimethylpropyl)-2-N-ethyl-4-N-methylpentane-2,4-diamine is CCNC(C)CC(C)N(C)CC(C)(C)C.
What is the InChIKey of 4-N-(2,2-dimethylpropyl)-2-N-ethyl-4-N-methylpentane-2,4-diamine?
The InChIKey is OFHMCCWMKWFJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-8-14-11(2)9-12(3)15(7)10-13(4,5)6/h11-12,14H,8-10H2,1-7H3.
What are the key properties of 4-N-(2,2-dimethylpropyl)-2-N-ethyl-4-N-methylpentane-2,4-diamine?
4-N-(2,2-dimethylpropyl)-2-N-ethyl-4-N-methylpentane-2,4-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylpropyl)-2-N-ethyl-4-N-methylpentane-2,4-diamine is sourced from PubChem (CID 64707421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).