2-propan-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine

C16H33NO — CID 113383965

IUPAC2-propan-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine
SMILESCC(C)OCCCCNC1CCCCC1C(C)C
InChIInChI=1S/C16H33NO/c1-13(2)15-9-5-6-10-16(15)17-11-7-8-12-18-14(3)4/h13-17H,5-12H2,1-4H3
InChIKeyYAXYOMFIDJOEJC-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds8

About 2-propan-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine

2-propan-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine (PubChem CID 113383965) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-propan-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-propan-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine
PubChem CID113383965
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-propan-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine
SMILESCC(C)OCCCCNC1CCCCC1C(C)C
InChIInChI=1S/C16H33NO/c1-13(2)15-9-5-6-10-16(15)17-11-7-8-12-18-14(3)4/h13-17H,5-12H2,1-4H3
InChIKeyYAXYOMFIDJOEJC-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 43183143
2-methyl-N-(4-propan-2-yloxybutyl)thian-3-amine
CID 106007631
2-methoxy-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 43771411
2-propan-2-yl-N-propylcyclohexan-1-amine
CID 62603110
5-[(2-propan-2-ylcyclohexyl)amino]pentanoic acid
CID 103261984
2-piperidin-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine
CID 106007566
1-N-(3-propan-2-yloxypropyl)cyclopentane-1,2-diamine
CID 102571467
2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 64774993
N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81328492
N-(3-propan-2-yloxypropyl)cycloheptanamine
CID 28726587
2-[(2-propan-2-ylcyclohexyl)amino]ethyl carbamate
CID 83211755
N-(cyclopropylmethyl)-2-propan-2-ylcyclohexan-1-amine
CID 78927307

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine?
The IUPAC name of 2-propan-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine (CID 113383965) is 2-propan-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine.
What is the SMILES notation for 2-propan-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine?
The canonical SMILES for 2-propan-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine is CC(C)OCCCCNC1CCCCC1C(C)C.
What is the InChIKey of 2-propan-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine?
The InChIKey is YAXYOMFIDJOEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-13(2)15-9-5-6-10-16(15)17-11-7-8-12-18-14(3)4/h13-17H,5-12H2,1-4H3.
What are the key properties of 2-propan-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine?
2-propan-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine is sourced from PubChem (CID 113383965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).