[4-propan-2-yl-2-(propoxymethyl)cyclohexyl]methanamine

C14H29NO — CID 81012041

IUPAC[4-propan-2-yl-2-(propoxymethyl)cyclohexyl]methanamine
SMILESCCCOCC1CC(C(C)C)CCC1CN
InChIInChI=1S/C14H29NO/c1-4-7-16-10-14-8-12(11(2)3)5-6-13(14)9-15/h11-14H,4-10,15H2,1-3H3
InChIKeyDWUPTEVTAPVLHY-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.06
Rot. Bonds6

About [4-propan-2-yl-2-(propoxymethyl)cyclohexyl]methanamine

[4-propan-2-yl-2-(propoxymethyl)cyclohexyl]methanamine (PubChem CID 81012041) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is [4-propan-2-yl-2-(propoxymethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-propan-2-yl-2-(propoxymethyl)cyclohexyl]methanamine
PubChem CID81012041
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name[4-propan-2-yl-2-(propoxymethyl)cyclohexyl]methanamine
SMILESCCCOCC1CC(C(C)C)CCC1CN
InChIInChI=1S/C14H29NO/c1-4-7-16-10-14-8-12(11(2)3)5-6-13(14)9-15/h11-14H,4-10,15H2,1-3H3
InChIKeyDWUPTEVTAPVLHY-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
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-amine
CID 106454508
1-chloro-4-propan-2-yl-2-(2-propoxyethyl)cyclohexane
CID 106456044
4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol
CID 106455962
(2-but-3-ynyl-4-propan-2-ylcyclohexyl)methanamine
CID 81011463
N-[[4-methyl-2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 81032198
[2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 81011476
(3-propan-2-ylcyclopentyl)methanamine
CID 55290681
N-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030307
(4-methyl-2-pentan-2-ylcyclohexyl)methanamine
CID 107889294
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223
[2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine
CID 116500448
[4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine
CID 106459327

Frequently Asked Questions

What is the IUPAC name of [4-propan-2-yl-2-(propoxymethyl)cyclohexyl]methanamine?
The IUPAC name of [4-propan-2-yl-2-(propoxymethyl)cyclohexyl]methanamine (CID 81012041) is [4-propan-2-yl-2-(propoxymethyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-propan-2-yl-2-(propoxymethyl)cyclohexyl]methanamine?
The canonical SMILES for [4-propan-2-yl-2-(propoxymethyl)cyclohexyl]methanamine is CCCOCC1CC(C(C)C)CCC1CN.
What is the InChIKey of [4-propan-2-yl-2-(propoxymethyl)cyclohexyl]methanamine?
The InChIKey is DWUPTEVTAPVLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-7-16-10-14-8-12(11(2)3)5-6-13(14)9-15/h11-14H,4-10,15H2,1-3H3.
What are the key properties of [4-propan-2-yl-2-(propoxymethyl)cyclohexyl]methanamine?
[4-propan-2-yl-2-(propoxymethyl)cyclohexyl]methanamine has a molecular weight of 227.39 g/mol, XLogP of 3.06, 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-(propoxymethyl)cyclohexyl]methanamine is sourced from PubChem (CID 81012041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).