N-(4-tert-butylcycloheptyl)-1-cyclopropyl-N-methylethane-1,2-diamine

C17H34N2 — CID 116651436

IUPACN-(4-tert-butylcycloheptyl)-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(C1CCCC(C(C)(C)C)CC1)C(CN)C1CC1
InChIInChI=1S/C17H34N2/c1-17(2,3)14-6-5-7-15(11-10-14)19(4)16(12-18)13-8-9-13/h13-16H,5-12,18H2,1-4H3
InChIKeyMHCKUNQUTLOBAT-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds4

About N-(4-tert-butylcycloheptyl)-1-cyclopropyl-N-methylethane-1,2-diamine

N-(4-tert-butylcycloheptyl)-1-cyclopropyl-N-methylethane-1,2-diamine (PubChem CID 116651436) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-(4-tert-butylcycloheptyl)-1-cyclopropyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-tert-butylcycloheptyl)-1-cyclopropyl-N-methylethane-1,2-diamine
PubChem CID116651436
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-(4-tert-butylcycloheptyl)-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(C1CCCC(C(C)(C)C)CC1)C(CN)C1CC1
InChIInChI=1S/C17H34N2/c1-17(2,3)14-6-5-7-15(11-10-14)19(4)16(12-18)13-8-9-13/h13-16H,5-12,18H2,1-4H3
InChIKeyMHCKUNQUTLOBAT-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-tert-butylcycloheptyl)-1-cyclopropyl-N-methylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcycloheptyl)-1-cyclopropyl-N-methylethane-1,2-diamine?
The IUPAC name of N-(4-tert-butylcycloheptyl)-1-cyclopropyl-N-methylethane-1,2-diamine (CID 116651436) is N-(4-tert-butylcycloheptyl)-1-cyclopropyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(4-tert-butylcycloheptyl)-1-cyclopropyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-(4-tert-butylcycloheptyl)-1-cyclopropyl-N-methylethane-1,2-diamine is CN(C1CCCC(C(C)(C)C)CC1)C(CN)C1CC1.
What is the InChIKey of N-(4-tert-butylcycloheptyl)-1-cyclopropyl-N-methylethane-1,2-diamine?
The InChIKey is MHCKUNQUTLOBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-17(2,3)14-6-5-7-15(11-10-14)19(4)16(12-18)13-8-9-13/h13-16H,5-12,18H2,1-4H3.
What are the key properties of N-(4-tert-butylcycloheptyl)-1-cyclopropyl-N-methylethane-1,2-diamine?
N-(4-tert-butylcycloheptyl)-1-cyclopropyl-N-methylethane-1,2-diamine has a molecular weight of 266.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcycloheptyl)-1-cyclopropyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 116651436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).