N-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine

C19H29NO — CID 62455925

IUPACN-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCC2CC=CCC2C)cc1
InChIInChI=1S/C19H29NO/c1-3-12-20-13-17-8-10-18(11-9-17)14-21-15-19-7-5-4-6-16(19)2/h4-5,8-11,16,19-20H,3,6-7,12-15H2,1-2H3
InChIKeyXBXHUFZJUAZGAF-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.31
Rot. Bonds8

About N-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine

N-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine (PubChem CID 62455925) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine
PubChem CID62455925
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCC2CC=CCC2C)cc1
InChIInChI=1S/C19H29NO/c1-3-12-20-13-17-8-10-18(11-9-17)14-21-15-19-7-5-4-6-16(19)2/h4-5,8-11,16,19-20H,3,6-7,12-15H2,1-2H3
InChIKeyXBXHUFZJUAZGAF-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine
CID 106205738
N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808490
N-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine
CID 63488635
N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine
CID 55129561
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 62455545
3-[[(1R,6S)-6-methylcyclohex-3-en-1-yl]methoxymethyl]benzoic acid
CID 29005819
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533
[4-(propylaminomethyl)phenyl]methyl carbamate
CID 175323121
1-(4-ethylphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone
CID 62028926
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62450171
N-[[4-(chloromethyl)phenyl]methyl]propan-1-amine
CID 107232944

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine (CID 62455925) is N-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine is CCCNCc1ccc(COCC2CC=CCC2C)cc1.
What is the InChIKey of N-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine?
The InChIKey is XBXHUFZJUAZGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-12-20-13-17-8-10-18(11-9-17)14-21-15-19-7-5-4-6-16(19)2/h4-5,8-11,16,19-20H,3,6-7,12-15H2,1-2H3.
What are the key properties of N-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine?
N-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62455925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).