[4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine

C15H31NO — CID 106459327

IUPAC[4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine
SMILESCCCOCCC1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C15H31NO/c1-4-10-17-11-9-15(12-16)7-5-14(6-8-15)13(2)3/h13-14H,4-12,16H2,1-3H3
InChIKeyZNGXOGUUJYKXDK-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.59
Rot. Bonds7

About [4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine

[4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine (PubChem CID 106459327) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is [4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine
PubChem CID106459327
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name[4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine
SMILESCCCOCCC1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C15H31NO/c1-4-10-17-11-9-15(12-16)7-5-14(6-8-15)13(2)3/h13-14H,4-12,16H2,1-3H3
InChIKeyZNGXOGUUJYKXDK-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.59
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

1-{3-Oxaspiro[5.5]undecan-9-yl}methanamine hydrochloride
CID 165879878
[4-Tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
CID 62724702
[4-Tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 62724900
[4-Butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
CID 62741005
[4-Butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 63522502
[4,4-Dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 65389392
[4,4-Dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
CID 65389987
[4-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 65393014
[4-Ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 65393696
[3-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
CID 65393836
[4-Ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
CID 65393905
[4-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
CID 65395297

Frequently Asked Questions

What is the IUPAC name of [4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine?
The IUPAC name of [4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine (CID 106459327) is [4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine?
The canonical SMILES for [4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine is CCCOCCC1(CN)CCC(C(C)C)CC1.
What is the InChIKey of [4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine?
The InChIKey is ZNGXOGUUJYKXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-10-17-11-9-15(12-16)7-5-14(6-8-15)13(2)3/h13-14H,4-12,16H2,1-3H3.
What are the key properties of [4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine?
[4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine has a molecular weight of 241.42 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine is sourced from PubChem (CID 106459327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).