5-cyclopropylpentane-2,3-diamine

C8H18N2 — CID 123404811

IUPAC5-cyclopropylpentane-2,3-diamine
SMILESCC(N)C(N)CCC1CC1
InChIInChI=1S/C8H18N2/c1-6(9)8(10)5-4-7-2-3-7/h6-8H,2-5,9-10H2,1H3
InChIKeyXCRZNSHAOXBNFW-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.85
Rot. Bonds4

About 5-cyclopropylpentane-2,3-diamine

5-cyclopropylpentane-2,3-diamine (PubChem CID 123404811) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 5-cyclopropylpentane-2,3-diamine.

Molecular Properties

Compound Name5-cyclopropylpentane-2,3-diamine
PubChem CID123404811
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name5-cyclopropylpentane-2,3-diamine
SMILESCC(N)C(N)CCC1CC1
InChIInChI=1S/C8H18N2/c1-6(9)8(10)5-4-7-2-3-7/h6-8H,2-5,9-10H2,1H3
InChIKeyXCRZNSHAOXBNFW-UHFFFAOYSA-N
XLogP0.85
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-4,5-dimethylhexan-3-amine
CID 104995209
(2R)-4-cyclopropylbutan-2-amine
CID 95367313
1-cyclopropyl-4-methoxypentan-3-amine
CID 79617278
1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 154060378
3-methylpentylcyclopropane
CID 56979389
4-cyclopropyl-2-ethoxycarbonylbutanoic acid
CID 103973612
4-(2-cyclopropylethylsulfanyl)butan-2-amine
CID 66234186
4,4-dimethyl-1-(4-methylcyclohexyl)pentan-3-amine
CID 64774900
3-ethylpentylcyclopropane
CID 91030831
3-amino-6-cyclopropyl-4-ethylhexanoic acid
CID 69268127
1-(2-cyclopropylethoxy)propan-2-amine
CID 106200486
1-cyclooctyl-3-cyclopropylpropan-1-amine
CID 80603761

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylpentane-2,3-diamine?
The IUPAC name of 5-cyclopropylpentane-2,3-diamine (CID 123404811) is 5-cyclopropylpentane-2,3-diamine.
What is the SMILES notation for 5-cyclopropylpentane-2,3-diamine?
The canonical SMILES for 5-cyclopropylpentane-2,3-diamine is CC(N)C(N)CCC1CC1.
What is the InChIKey of 5-cyclopropylpentane-2,3-diamine?
The InChIKey is XCRZNSHAOXBNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-6(9)8(10)5-4-7-2-3-7/h6-8H,2-5,9-10H2,1H3.
What are the key properties of 5-cyclopropylpentane-2,3-diamine?
5-cyclopropylpentane-2,3-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylpentane-2,3-diamine is sourced from PubChem (CID 123404811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).