2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine

C17H34N2 — CID 43293648

IUPAC2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCN(C1CC1)C1CC(C(C)(C)CC)CCC1CN
InChIInChI=1S/C17H34N2/c1-5-17(3,4)14-8-7-13(12-18)16(11-14)19(6-2)15-9-10-15/h13-16H,5-12,18H2,1-4H3
InChIKeyIMGQRKMBSCZGMI-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds6

About 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine

2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 43293648) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID43293648
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCN(C1CC1)C1CC(C(C)(C)CC)CCC1CN
InChIInChI=1S/C17H34N2/c1-5-17(3,4)14-8-7-13(12-18)16(11-14)19(6-2)15-9-10-15/h13-16H,5-12,18H2,1-4H3
InChIKeyIMGQRKMBSCZGMI-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 43293648) is 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine is CCN(C1CC1)C1CC(C(C)(C)CC)CCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is IMGQRKMBSCZGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-17(3,4)14-8-7-13(12-18)16(11-14)19(6-2)15-9-10-15/h13-16H,5-12,18H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine?
2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 43293648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).