(2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine

C14H29NO — CID 59906415

IUPAC(2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
SMILESCC(C)(C)NC1CCCC[C@H]1OC(C)(C)C
InChIInChI=1S/C14H29NO/c1-13(2,3)15-11-9-7-8-10-12(11)16-14(4,5)6/h11-12,15H,7-10H2,1-6H3/t11?,12-/m1/s1
InChIKeyLLLHVLPEKATBNV-PIJUOVFKSA-N
MW227.39 g/mol
LogP3.50
Rot. Bonds2

About (2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine

(2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine (PubChem CID 59906415) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
PubChem CID59906415
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
SMILESCC(C)(C)NC1CCCC[C@H]1OC(C)(C)C
InChIInChI=1S/C14H29NO/c1-13(2,3)15-11-9-7-8-10-12(11)16-14(4,5)6/h11-12,15H,7-10H2,1-6H3/t11?,12-/m1/s1
InChIKeyLLLHVLPEKATBNV-PIJUOVFKSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine
CID 63475627
2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine
CID 63475623
N-[(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]prop-2-enamide
CID 166410255
1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane
CID 12578562
trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane
CID 66800520
2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;hydrochloride
CID 172642150
trans-(1S,2S)-N,N-ditert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
CID 59264961
(2R)-N-tert-butyl-2-methylcyclobutan-1-amine
CID 161232093
2-methoxy-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine
CID 63997716
trans-(1S,2S)-2-N-tert-butyl-1-N,1-N-dimethylcyclopentane-1,2-diamine
CID 134429389
trans-(1S,2S)-N-(2,6-dioxaspiro[4.5]decan-7-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
CID 167957815
2-(tert-butylamino)cyclopentane-1-carbaldehyde
CID 88895593

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
The IUPAC name of (2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine (CID 59906415) is (2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for (2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for (2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine is CC(C)(C)NC1CCCC[C@H]1OC(C)(C)C.
What is the InChIKey of (2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
The InChIKey is LLLHVLPEKATBNV-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2,3)15-11-9-7-8-10-12(11)16-14(4,5)6/h11-12,15H,7-10H2,1-6H3/t11?,12-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
(2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 59906415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).