1-cyclopropyl-N-propylethane-1,2-diamine

C8H18N2 — CID 62066602

IUPAC1-cyclopropyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN)C1CC1
InChIInChI=1S/C8H18N2/c1-2-5-10-8(6-9)7-3-4-7/h7-8,10H,2-6,9H2,1H3
InChIKeyZYVFKKIAWQPAPB-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.72
Rot. Bonds5

About 1-cyclopropyl-N-propylethane-1,2-diamine

1-cyclopropyl-N-propylethane-1,2-diamine (PubChem CID 62066602) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-cyclopropyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-propylethane-1,2-diamine
PubChem CID62066602
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-cyclopropyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN)C1CC1
InChIInChI=1S/C8H18N2/c1-2-5-10-8(6-9)7-3-4-7/h7-8,10H,2-6,9H2,1H3
InChIKeyZYVFKKIAWQPAPB-UHFFFAOYSA-N
XLogP0.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-cyclopropyl-N-propylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-propylethane-1,2-diamine (CID 62066602) is 1-cyclopropyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-propylethane-1,2-diamine is CCCNC(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-propylethane-1,2-diamine?
The InChIKey is ZYVFKKIAWQPAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-2-5-10-8(6-9)7-3-4-7/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 1-cyclopropyl-N-propylethane-1,2-diamine?
1-cyclopropyl-N-propylethane-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 62066602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).