N-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine

C18H36N2 — CID 63455790

IUPACN-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NCCN2CCCCCC2)CC1
InChIInChI=1S/C18H36N2/c1-18(2,3)16-8-10-17(11-9-16)19-12-15-20-13-6-4-5-7-14-20/h16-17,19H,4-15H2,1-3H3
InChIKeyNZXVJHUFLQTWOY-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds4

About N-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine

N-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine (PubChem CID 63455790) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine
PubChem CID63455790
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NCCN2CCCCCC2)CC1
InChIInChI=1S/C18H36N2/c1-18(2,3)16-8-10-17(11-9-16)19-12-15-20-13-6-4-5-7-14-20/h16-17,19H,4-15H2,1-3H3
InChIKeyNZXVJHUFLQTWOY-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-(2-piperidin-1-ylethyl)cyclohexan-1-amine
CID 742513
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride
CID 154577414
4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine
CID 65087017
N-[2-(azepan-1-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61240570
N-[2-(azepan-1-yl)ethyl]thian-4-amine
CID 60751888
3-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 64501657
3-ethyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 64500277
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanamine
CID 60701363
N-[5-(azocan-1-yl)pentyl]cyclopropanamine
CID 55070436

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine (CID 63455790) is N-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine is CC(C)(C)C1CCC(NCCN2CCCCCC2)CC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine?
The InChIKey is NZXVJHUFLQTWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-18(2,3)16-8-10-17(11-9-16)19-12-15-20-13-6-4-5-7-14-20/h16-17,19H,4-15H2,1-3H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine?
N-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine is sourced from PubChem (CID 63455790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).