N-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine

C19H35NO — CID 106654677

IUPACN-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C19H35NO/c1-5-15-20-17(16-9-7-6-8-10-16)19(21-4)13-11-18(2,3)12-14-19/h9,17,20H,5-8,10-15H2,1-4H3
InChIKeyJTRANIASDKOZLA-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.84
Rot. Bonds6

About N-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine

N-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine (PubChem CID 106654677) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is N-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine
PubChem CID106654677
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC NameN-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C19H35NO/c1-5-15-20-17(16-9-7-6-8-10-16)19(21-4)13-11-18(2,3)12-14-19/h9,17,20H,5-8,10-15H2,1-4H3
InChIKeyJTRANIASDKOZLA-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 106654605
N-[(1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116769729
1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106653712
1-(cyclohexen-1-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
CID 106654422
N-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 116769675
[cycloocten-1-yl-(1-methoxycycloheptyl)methyl]hydrazine
CID 106649647
N-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine
CID 106653818
N-[cycloocten-1-yl-(4,4-difluorocyclohexyl)methyl]propan-1-amine
CID 106656859
N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66477456
N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 102648121
N-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine
CID 106656551
2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-1-amine
CID 116769710

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine (CID 106654677) is N-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine is CCCNC(C1=CCCCC1)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of N-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine?
The InChIKey is JTRANIASDKOZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-5-15-20-17(16-9-7-6-8-10-16)19(21-4)13-11-18(2,3)12-14-19/h9,17,20H,5-8,10-15H2,1-4H3.
What are the key properties of N-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine?
N-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 106654677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).