1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine

C17H34N2 — CID 63467595

IUPAC1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine
SMILESCCCCN(C1CC1)C1CCCCCC1NCCC
InChIInChI=1S/C17H34N2/c1-3-5-14-19(15-11-12-15)17-10-8-6-7-9-16(17)18-13-4-2/h15-18H,3-14H2,1-2H3
InChIKeyGFDCUHRGVAUWDS-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.95
Rot. Bonds8

About 1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine

1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine (PubChem CID 63467595) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine.

Molecular Properties

Compound Name1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine
PubChem CID63467595
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine
SMILESCCCCN(C1CC1)C1CCCCCC1NCCC
InChIInChI=1S/C17H34N2/c1-3-5-14-19(15-11-12-15)17-10-8-6-7-9-16(17)18-13-4-2/h15-18H,3-14H2,1-2H3
InChIKeyGFDCUHRGVAUWDS-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine?
The IUPAC name of 1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine (CID 63467595) is 1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine.
What is the SMILES notation for 1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine?
The canonical SMILES for 1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine is CCCCN(C1CC1)C1CCCCCC1NCCC.
What is the InChIKey of 1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine?
The InChIKey is GFDCUHRGVAUWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-5-14-19(15-11-12-15)17-10-8-6-7-9-16(17)18-13-4-2/h15-18H,3-14H2,1-2H3.
What are the key properties of 1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine?
1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine has a molecular weight of 266.47 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine is sourced from PubChem (CID 63467595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).