4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine

C14H29NO — CID 106454508

IUPAC4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine
SMILESCCCOCCC1CC(C(C)C)CCC1N
InChIInChI=1S/C14H29NO/c1-4-8-16-9-7-13-10-12(11(2)3)5-6-14(13)15/h11-14H,4-10,15H2,1-3H3
InChIKeyYEXBSEPPKXCWQS-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.20
Rot. Bonds6

About 4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine

4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine (PubChem CID 106454508) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine
PubChem CID106454508
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine
SMILESCCCOCCC1CC(C(C)C)CCC1N
InChIInChI=1S/C14H29NO/c1-4-8-16-9-7-13-10-12(11(2)3)5-6-14(13)15/h11-14H,4-10,15H2,1-3H3
InChIKeyYEXBSEPPKXCWQS-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.20
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

4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol
CID 106455962
1-chloro-4-propan-2-yl-2-(2-propoxyethyl)cyclohexane
CID 106456044
2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 63401726
[4-propan-2-yl-2-(propoxymethyl)cyclohexyl]methanamine
CID 81012041
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223
2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 62739877
4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine
CID 106454495
2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine
CID 63401544
3-(2-propoxyethyl)oxan-4-amine
CID 106469000
4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116616692
2-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-amine
CID 63191907
N-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106454513

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine?
The IUPAC name of 4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine (CID 106454508) is 4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine?
The canonical SMILES for 4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine is CCCOCCC1CC(C(C)C)CCC1N.
What is the InChIKey of 4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine?
The InChIKey is YEXBSEPPKXCWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-8-16-9-7-13-10-12(11(2)3)5-6-14(13)15/h11-14H,4-10,15H2,1-3H3.
What are the key properties of 4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine?
4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine is sourced from PubChem (CID 106454508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).