N-(2-tert-butylcyclohexyl)pyrrolidin-3-amine

C14H28N2 — CID 79724244

IUPACN-(2-tert-butylcyclohexyl)pyrrolidin-3-amine
SMILESCC(C)(C)C1CCCCC1NC1CCNC1
InChIInChI=1S/C14H28N2/c1-14(2,3)12-6-4-5-7-13(12)16-11-8-9-15-10-11/h11-13,15-16H,4-10H2,1-3H3
InChIKeyOOGQDLPFMCAWGU-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.54
Rot. Bonds2

About N-(2-tert-butylcyclohexyl)pyrrolidin-3-amine

N-(2-tert-butylcyclohexyl)pyrrolidin-3-amine (PubChem CID 79724244) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)pyrrolidin-3-amine
PubChem CID79724244
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(2-tert-butylcyclohexyl)pyrrolidin-3-amine
SMILESCC(C)(C)C1CCCCC1NC1CCNC1
InChIInChI=1S/C14H28N2/c1-14(2,3)12-6-4-5-7-13(12)16-11-8-9-15-10-11/h11-13,15-16H,4-10H2,1-3H3
InChIKeyOOGQDLPFMCAWGU-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butylcyclohexyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472154
tert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate
CID 107244169
N-(2-tert-butylcyclohexyl)-1,2-dimethylpiperidin-4-amine
CID 81298342
5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one
CID 64655706
(2-tert-butylcyclohexyl)hydrazine
CID 18070389
N-(2-methyloxolan-3-yl)pyrrolidin-3-amine
CID 82726454
N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43223738
4-tert-butyl-3-cyclopentylpiperidine
CID 112570800
N-(2-tert-butylcyclohexyl)-1,3-dimethylpiperidin-4-amine
CID 115708700
N-cyclopentylazepan-3-amine
CID 82934004
N-cycloheptylazepan-3-amine
CID 82934093
(3R)-N-propan-2-ylpyrrolidin-3-amine
CID 53346611

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)pyrrolidin-3-amine?
The IUPAC name of N-(2-tert-butylcyclohexyl)pyrrolidin-3-amine (CID 79724244) is N-(2-tert-butylcyclohexyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)pyrrolidin-3-amine?
The canonical SMILES for N-(2-tert-butylcyclohexyl)pyrrolidin-3-amine is CC(C)(C)C1CCCCC1NC1CCNC1.
What is the InChIKey of N-(2-tert-butylcyclohexyl)pyrrolidin-3-amine?
The InChIKey is OOGQDLPFMCAWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-14(2,3)12-6-4-5-7-13(12)16-11-8-9-15-10-11/h11-13,15-16H,4-10H2,1-3H3.
What are the key properties of N-(2-tert-butylcyclohexyl)pyrrolidin-3-amine?
N-(2-tert-butylcyclohexyl)pyrrolidin-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)pyrrolidin-3-amine is sourced from PubChem (CID 79724244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).