2-methyl-2-N-propylpentane-2,4-diamine

C9H22N2 — CID 12639044

IUPAC2-methyl-2-N-propylpentane-2,4-diamine
SMILESCCCNC(C)(C)CC(C)N
InChIInChI=1S/C9H22N2/c1-5-6-11-9(3,4)7-8(2)10/h8,11H,5-7,10H2,1-4H3
InChIKeyZSXVXTYIYICOIO-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.50
Rot. Bonds5

About 2-methyl-2-N-propylpentane-2,4-diamine

2-methyl-2-N-propylpentane-2,4-diamine (PubChem CID 12639044) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 2-methyl-2-N-propylpentane-2,4-diamine.

Molecular Properties

Compound Name2-methyl-2-N-propylpentane-2,4-diamine
PubChem CID12639044
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name2-methyl-2-N-propylpentane-2,4-diamine
SMILESCCCNC(C)(C)CC(C)N
InChIInChI=1S/C9H22N2/c1-5-6-11-9(3,4)7-8(2)10/h8,11H,5-7,10H2,1-4H3
InChIKeyZSXVXTYIYICOIO-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-propylpentane-2,4-diamine?
The IUPAC name of 2-methyl-2-N-propylpentane-2,4-diamine (CID 12639044) is 2-methyl-2-N-propylpentane-2,4-diamine.
What is the SMILES notation for 2-methyl-2-N-propylpentane-2,4-diamine?
The canonical SMILES for 2-methyl-2-N-propylpentane-2,4-diamine is CCCNC(C)(C)CC(C)N.
What is the InChIKey of 2-methyl-2-N-propylpentane-2,4-diamine?
The InChIKey is ZSXVXTYIYICOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-5-6-11-9(3,4)7-8(2)10/h8,11H,5-7,10H2,1-4H3.
What are the key properties of 2-methyl-2-N-propylpentane-2,4-diamine?
2-methyl-2-N-propylpentane-2,4-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-propylpentane-2,4-diamine is sourced from PubChem (CID 12639044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).