4,4-dimethyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylpentane-2,3-diamine

C16H36N2 — CID 79483348

IUPAC4,4-dimethyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylpentane-2,3-diamine
SMILESCCC(CC)N(CC(C)C)C(C(C)N)C(C)(C)C
InChIInChI=1S/C16H36N2/c1-9-14(10-2)18(11-12(3)4)15(13(5)17)16(6,7)8/h12-15H,9-11,17H2,1-8H3
InChIKeyKVPCGUJNKVMANU-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.89
Rot. Bonds7

About 4,4-dimethyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylpentane-2,3-diamine

4,4-dimethyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylpentane-2,3-diamine (PubChem CID 79483348) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 4,4-dimethyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylpentane-2,3-diamine.

Molecular Properties

Compound Name4,4-dimethyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylpentane-2,3-diamine
PubChem CID79483348
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name4,4-dimethyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylpentane-2,3-diamine
SMILESCCC(CC)N(CC(C)C)C(C(C)N)C(C)(C)C
InChIInChI=1S/C16H36N2/c1-9-14(10-2)18(11-12(3)4)15(13(5)17)16(6,7)8/h12-15H,9-11,17H2,1-8H3
InChIKeyKVPCGUJNKVMANU-UHFFFAOYSA-N
XLogP3.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylpentane-2,3-diamine?
The IUPAC name of 4,4-dimethyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylpentane-2,3-diamine (CID 79483348) is 4,4-dimethyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylpentane-2,3-diamine.
What is the SMILES notation for 4,4-dimethyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylpentane-2,3-diamine?
The canonical SMILES for 4,4-dimethyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylpentane-2,3-diamine is CCC(CC)N(CC(C)C)C(C(C)N)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylpentane-2,3-diamine?
The InChIKey is KVPCGUJNKVMANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-9-14(10-2)18(11-12(3)4)15(13(5)17)16(6,7)8/h12-15H,9-11,17H2,1-8H3.
What are the key properties of 4,4-dimethyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylpentane-2,3-diamine?
4,4-dimethyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylpentane-2,3-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylpentane-2,3-diamine is sourced from PubChem (CID 79483348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).