N-[[4,4-dimethyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine

C18H35NO — CID 81030494

IUPACN-[[4,4-dimethyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C)(C)CC1CCC1CCCO1
InChIInChI=1S/C18H35NO/c1-4-11-19-14-16-9-10-18(2,3)13-15(16)7-8-17-6-5-12-20-17/h15-17,19H,4-14H2,1-3H3
InChIKeyQMEGCGVZVKNYBG-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.39
Rot. Bonds7

About N-[[4,4-dimethyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine

N-[[4,4-dimethyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 81030494) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-[[4,4-dimethyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4,4-dimethyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
PubChem CID81030494
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-[[4,4-dimethyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C)(C)CC1CCC1CCCO1
InChIInChI=1S/C18H35NO/c1-4-11-19-14-16-9-10-18(2,3)13-15(16)7-8-17-6-5-12-20-17/h15-17,19H,4-14H2,1-3H3
InChIKeyQMEGCGVZVKNYBG-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.39
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

N-[[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methyl]propan-1-amine
CID 81033878
N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025790
N-[[2-(cyclopentylmethyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine
CID 81030643
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
CID 106496824
2-[2-(oxolan-2-yl)ethyl]-N-propylcyclopentan-1-amine
CID 65163066
2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65165708
3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine
CID 104537106
N-methyl-1-[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methanamine
CID 81034767
2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025739
N-[[2-[(3-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methyl]propan-1-amine
CID 81022700
N-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 65161350

Frequently Asked Questions

What is the IUPAC name of N-[[4,4-dimethyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[4,4-dimethyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine (CID 81030494) is N-[[4,4-dimethyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4,4-dimethyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4,4-dimethyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine is CCCNCC1CCC(C)(C)CC1CCC1CCCO1.
What is the InChIKey of N-[[4,4-dimethyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is QMEGCGVZVKNYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-4-11-19-14-16-9-10-18(2,3)13-15(16)7-8-17-6-5-12-20-17/h15-17,19H,4-14H2,1-3H3.
What are the key properties of N-[[4,4-dimethyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine?
N-[[4,4-dimethyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 281.48 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,4-dimethyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81030494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).