3-N-butan-2-ylpentane-1,3-diamine

C9H22N2 — CID 79687854

IUPAC3-N-butan-2-ylpentane-1,3-diamine
SMILESCCC(C)NC(CC)CCN
InChIInChI=1S/C9H22N2/c1-4-8(3)11-9(5-2)6-7-10/h8-9,11H,4-7,10H2,1-3H3
InChIKeyOBDGCSAXKJNUNC-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.50
Rot. Bonds6

About 3-N-butan-2-ylpentane-1,3-diamine

3-N-butan-2-ylpentane-1,3-diamine (PubChem CID 79687854) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 3-N-butan-2-ylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-butan-2-ylpentane-1,3-diamine
PubChem CID79687854
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name3-N-butan-2-ylpentane-1,3-diamine
SMILESCCC(C)NC(CC)CCN
InChIInChI=1S/C9H22N2/c1-4-8(3)11-9(5-2)6-7-10/h8-9,11H,4-7,10H2,1-3H3
InChIKeyOBDGCSAXKJNUNC-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

2-N-butan-2-ylbutane-1,2-diamine
CID 65383275
2-N-hexan-3-ylpropane-1,2-diamine
CID 103389738
3-N-butan-2-yl-1-N-methylpentane-1,3-diamine
CID 118478770
2-N-butan-2-ylpentane-1,2-diamine
CID 65385176
N-butan-2-ylheptan-4-amine
CID 43190303
N-butan-2-yl-2,6-dimethylheptan-4-amine
CID 43110369
2-N-butan-2-yl-1-N,1-N-dimethylbutane-1,2-diamine
CID 129045387
2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine
CID 103088925
3-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026652
N-pent-4-yn-2-ylpentan-3-amine
CID 115725330
3-N-(tert-butylsulfamoyl)pentane-1,3-diamine
CID 114803978
3-(hept-6-en-3-ylamino)butanamide
CID 115867780

Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-ylpentane-1,3-diamine?
The IUPAC name of 3-N-butan-2-ylpentane-1,3-diamine (CID 79687854) is 3-N-butan-2-ylpentane-1,3-diamine.
What is the SMILES notation for 3-N-butan-2-ylpentane-1,3-diamine?
The canonical SMILES for 3-N-butan-2-ylpentane-1,3-diamine is CCC(C)NC(CC)CCN.
What is the InChIKey of 3-N-butan-2-ylpentane-1,3-diamine?
The InChIKey is OBDGCSAXKJNUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-4-8(3)11-9(5-2)6-7-10/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 3-N-butan-2-ylpentane-1,3-diamine?
3-N-butan-2-ylpentane-1,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-ylpentane-1,3-diamine is sourced from PubChem (CID 79687854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).