1-(1-methylcyclopropyl)ethane-1,2-diamine

C6H14N2 — CID 147768838

IUPAC1-(1-methylcyclopropyl)ethane-1,2-diamine
SMILESCC1(C(N)CN)CC1
InChIInChI=1S/C6H14N2/c1-6(2-3-6)5(8)4-7/h5H,2-4,7-8H2,1H3
InChIKeyPHERCRTULMUMOJ-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.07
Rot. Bonds2

About 1-(1-methylcyclopropyl)ethane-1,2-diamine

1-(1-methylcyclopropyl)ethane-1,2-diamine (PubChem CID 147768838) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)ethane-1,2-diamine
PubChem CID147768838
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name1-(1-methylcyclopropyl)ethane-1,2-diamine
SMILESCC1(C(N)CN)CC1
InChIInChI=1S/C6H14N2/c1-6(2-3-6)5(8)4-7/h5H,2-4,7-8H2,1H3
InChIKeyPHERCRTULMUMOJ-UHFFFAOYSA-N
XLogP0.07
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)ethane-1,2-diamine?
The IUPAC name of 1-(1-methylcyclopropyl)ethane-1,2-diamine (CID 147768838) is 1-(1-methylcyclopropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1-methylcyclopropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(1-methylcyclopropyl)ethane-1,2-diamine is CC1(C(N)CN)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)ethane-1,2-diamine?
The InChIKey is PHERCRTULMUMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-6(2-3-6)5(8)4-7/h5H,2-4,7-8H2,1H3.
What are the key properties of 1-(1-methylcyclopropyl)ethane-1,2-diamine?
1-(1-methylcyclopropyl)ethane-1,2-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)ethane-1,2-diamine is sourced from PubChem (CID 147768838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).