N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine

C14H29NO — CID 58964111

IUPACN-tert-butyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
SMILESCC(C)(C)NC1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-13(2,3)15-11-7-9-12(10-8-11)16-14(4,5)6/h11-12,15H,7-10H2,1-6H3
InChIKeyVIPDCBJECMZEGX-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.50
Rot. Bonds2

About N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine

N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine (PubChem CID 58964111) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
PubChem CID58964111
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-tert-butyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
SMILESCC(C)(C)NC1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-13(2,3)15-11-7-9-12(10-8-11)16-14(4,5)6/h11-12,15H,7-10H2,1-6H3
InChIKeyVIPDCBJECMZEGX-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
The IUPAC name of N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine (CID 58964111) is N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine is CC(C)(C)NC1CCC(OC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
The InChIKey is VIPDCBJECMZEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2,3)15-11-7-9-12(10-8-11)16-14(4,5)6/h11-12,15H,7-10H2,1-6H3.
What are the key properties of N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
N-tert-butyl-4-[(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 N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 58964111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).