2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine

C19H38N2 — CID 104575420

IUPAC2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine
SMILESCC1CCCCCN1C(CN)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H38N2/c1-15-8-6-5-7-13-21(15)18(14-20)16-9-11-17(12-10-16)19(2,3)4/h15-18H,5-14,20H2,1-4H3
InChIKeyORDJTGJEDXKEQC-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.43
Rot. Bonds3

About 2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine

2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine (PubChem CID 104575420) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine
PubChem CID104575420
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine
SMILESCC1CCCCCN1C(CN)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H38N2/c1-15-8-6-5-7-13-21(15)18(14-20)16-9-11-17(12-10-16)19(2,3)4/h15-18H,5-14,20H2,1-4H3
InChIKeyORDJTGJEDXKEQC-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine (CID 104575420) is 2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine is CC1CCCCCN1C(CN)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine?
The InChIKey is ORDJTGJEDXKEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-15-8-6-5-7-13-21(15)18(14-20)16-9-11-17(12-10-16)19(2,3)4/h15-18H,5-14,20H2,1-4H3.
What are the key properties of 2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine?
2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine has a molecular weight of 294.53 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine is sourced from PubChem (CID 104575420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).