3-cyclopropylbutane-1,3-diamine

C7H16N2 — CID 150088317

IUPAC3-cyclopropylbutane-1,3-diamine
SMILESCC(N)(CCN)C1CC1
InChIInChI=1S/C7H16N2/c1-7(9,4-5-8)6-2-3-6/h6H,2-5,8-9H2,1H3
InChIKeyDSRSHRBTOSJTNW-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.46
Rot. Bonds3

About 3-cyclopropylbutane-1,3-diamine

3-cyclopropylbutane-1,3-diamine (PubChem CID 150088317) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 3-cyclopropylbutane-1,3-diamine.

Molecular Properties

Compound Name3-cyclopropylbutane-1,3-diamine
PubChem CID150088317
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name3-cyclopropylbutane-1,3-diamine
SMILESCC(N)(CCN)C1CC1
InChIInChI=1S/C7H16N2/c1-7(9,4-5-8)6-2-3-6/h6H,2-5,8-9H2,1H3
InChIKeyDSRSHRBTOSJTNW-UHFFFAOYSA-N
XLogP0.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Diamino-3,4-dimethylpentane
CID 57083980
4-Methylhexane-1,3-diamine
CID 18314362
3-Methylhexane-1,3-diamine
CID 18314369
2,3-Dimethylpentane-2,4-diamine
CID 20324305
2-Methyl-3-propylhexane-1,3-diamine
CID 20374029
3,5-Dimethylhexane-1,5-diamine
CID 20685258
4,5-Dimethylhexane-1,5-diamine
CID 22311195
1-(2-Aminoethyl)-2-methylcyclopropan-1-amine
CID 22625157
4-Methyl-3-propan-2-ylpentane-1,3-diamine
CID 23439655
2-Cyclopropylpropane-1,2-diamine
CID 43519489
1,4-Pentanediamine, 3,4-dimethyl-
CID 53913103
[2-(Propan-2-yl)cyclopropyl]methanamine
CID 56636551

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylbutane-1,3-diamine?
The IUPAC name of 3-cyclopropylbutane-1,3-diamine (CID 150088317) is 3-cyclopropylbutane-1,3-diamine.
What is the SMILES notation for 3-cyclopropylbutane-1,3-diamine?
The canonical SMILES for 3-cyclopropylbutane-1,3-diamine is CC(N)(CCN)C1CC1.
What is the InChIKey of 3-cyclopropylbutane-1,3-diamine?
The InChIKey is DSRSHRBTOSJTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(9,4-5-8)6-2-3-6/h6H,2-5,8-9H2,1H3.
What are the key properties of 3-cyclopropylbutane-1,3-diamine?
3-cyclopropylbutane-1,3-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylbutane-1,3-diamine is sourced from PubChem (CID 150088317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).