(3S)-1-(4-tert-butylcyclohexyl)pyrrolidin-3-amine

C14H28N2 — CID 94339784

IUPAC(3S)-1-(4-tert-butylcyclohexyl)pyrrolidin-3-amine
SMILESCC(C)(C)C1CCC(N2CC[C@H](N)C2)CC1
InChIInChI=1S/C14H28N2/c1-14(2,3)11-4-6-13(7-5-11)16-9-8-12(15)10-16/h11-13H,4-10,15H2,1-3H3/t11?,12-,13?/m0/s1
InChIKeyXQSXBGWZACKPCI-CPCZMJQVSA-N
MW224.39 g/mol
LogP2.62
Rot. Bonds1

About (3S)-1-(4-tert-butylcyclohexyl)pyrrolidin-3-amine

(3S)-1-(4-tert-butylcyclohexyl)pyrrolidin-3-amine (PubChem CID 94339784) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (3S)-1-(4-tert-butylcyclohexyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(4-tert-butylcyclohexyl)pyrrolidin-3-amine
PubChem CID94339784
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(3S)-1-(4-tert-butylcyclohexyl)pyrrolidin-3-amine
SMILESCC(C)(C)C1CCC(N2CC[C@H](N)C2)CC1
InChIInChI=1S/C14H28N2/c1-14(2,3)11-4-6-13(7-5-11)16-9-8-12(15)10-16/h11-13H,4-10,15H2,1-3H3/t11?,12-,13?/m0/s1
InChIKeyXQSXBGWZACKPCI-CPCZMJQVSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-1-azaspiro[4.5]decan-4-amine
CID 13282860
2-Cyclohexyl-2-pyrrolidin-1-ylethanamine
CID 16792616
1-Cyclohexyl-2-pyrrolidin-1-ylethanamine
CID 77589306
(2-Propan-2-yl-2-azaspiro[4.5]decan-4-yl)methanamine
CID 124052739
[2-(Cyclopropylmethyl)-2-azaspiro[4.5]decan-4-yl]methanamine
CID 124052740
N-[6-(5-fluoro-2-methylcyclohexyl)-2,2-dimethyloctan-3-yl]-N-(2-methylpropyl)pyrrolidin-3-amine
CID 135196483
4-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine
CID 78893004
(3S)-N-[(1R)-1-cyclohexylethyl]-1-methylpyrrolidin-3-amine
CID 93876517
(S)-1-(Cyclohexylmethyl)pyrrolidin-3-amine
CID 10821312
N,1-Dimethyl-1-azaspiro[4.5]decan-4-amine
CID 13282865
N-(4-Tert-butylcyclohexyl)-piperazine
CID 14553997
(4-Tert-butylcyclohexyl)[2-(dimethylamino)ethyl]amine
CID 16771409

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-tert-butylcyclohexyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(4-tert-butylcyclohexyl)pyrrolidin-3-amine (CID 94339784) is (3S)-1-(4-tert-butylcyclohexyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(4-tert-butylcyclohexyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(4-tert-butylcyclohexyl)pyrrolidin-3-amine is CC(C)(C)C1CCC(N2CC[C@H](N)C2)CC1.
What is the InChIKey of (3S)-1-(4-tert-butylcyclohexyl)pyrrolidin-3-amine?
The InChIKey is XQSXBGWZACKPCI-CPCZMJQVSA-N. The full InChI is InChI=1S/C14H28N2/c1-14(2,3)11-4-6-13(7-5-11)16-9-8-12(15)10-16/h11-13H,4-10,15H2,1-3H3/t11?,12-,13?/m0/s1.
What are the key properties of (3S)-1-(4-tert-butylcyclohexyl)pyrrolidin-3-amine?
(3S)-1-(4-tert-butylcyclohexyl)pyrrolidin-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-tert-butylcyclohexyl)pyrrolidin-3-amine is sourced from PubChem (CID 94339784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).