1-N-(2-methylcyclopropyl)butane-1,3-diamine

C8H18N2 — CID 62409960

IUPAC1-N-(2-methylcyclopropyl)butane-1,3-diamine
SMILESCC(N)CCNC1CC1C
InChIInChI=1S/C8H18N2/c1-6-5-8(6)10-4-3-7(2)9/h6-8,10H,3-5,9H2,1-2H3
InChIKeyNHJSCOILJULZAL-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.72
Rot. Bonds4

About 1-N-(2-methylcyclopropyl)butane-1,3-diamine

1-N-(2-methylcyclopropyl)butane-1,3-diamine (PubChem CID 62409960) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-N-(2-methylcyclopropyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-methylcyclopropyl)butane-1,3-diamine
PubChem CID62409960
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-N-(2-methylcyclopropyl)butane-1,3-diamine
SMILESCC(N)CCNC1CC1C
InChIInChI=1S/C8H18N2/c1-6-5-8(6)10-4-3-7(2)9/h6-8,10H,3-5,9H2,1-2H3
InChIKeyNHJSCOILJULZAL-UHFFFAOYSA-N
XLogP0.72
TPSA38.05 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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylcyclopropyl)butane-1,3-diamine?
The IUPAC name of 1-N-(2-methylcyclopropyl)butane-1,3-diamine (CID 62409960) is 1-N-(2-methylcyclopropyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-(2-methylcyclopropyl)butane-1,3-diamine?
The canonical SMILES for 1-N-(2-methylcyclopropyl)butane-1,3-diamine is CC(N)CCNC1CC1C.
What is the InChIKey of 1-N-(2-methylcyclopropyl)butane-1,3-diamine?
The InChIKey is NHJSCOILJULZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-6-5-8(6)10-4-3-7(2)9/h6-8,10H,3-5,9H2,1-2H3.
What are the key properties of 1-N-(2-methylcyclopropyl)butane-1,3-diamine?
1-N-(2-methylcyclopropyl)butane-1,3-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylcyclopropyl)butane-1,3-diamine is sourced from PubChem (CID 62409960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).