1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine

C12H28N2 — CID 79484278

IUPAC1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)N(CC(C)C)CC(C)N
InChIInChI=1S/C12H28N2/c1-6-12(7-2)14(8-10(3)4)9-11(5)13/h10-12H,6-9,13H2,1-5H3
InChIKeyGBCFQKNJUWRLPQ-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.48
Rot. Bonds7

About 1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine

1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine (PubChem CID 79484278) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
PubChem CID79484278
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)N(CC(C)C)CC(C)N
InChIInChI=1S/C12H28N2/c1-6-12(7-2)14(8-10(3)4)9-11(5)13/h10-12H,6-9,13H2,1-5H3
InChIKeyGBCFQKNJUWRLPQ-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine?
The IUPAC name of 1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine (CID 79484278) is 1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine is CCC(CC)N(CC(C)C)CC(C)N.
What is the InChIKey of 1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine?
The InChIKey is GBCFQKNJUWRLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-6-12(7-2)14(8-10(3)4)9-11(5)13/h10-12H,6-9,13H2,1-5H3.
What are the key properties of 1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine?
1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine is sourced from PubChem (CID 79484278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).