N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine

C17H27NO — CID 114783095

IUPACN-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine
SMILESCC1CCCC(OCCCNCc2ccccc2)C1
InChIInChI=1S/C17H27NO/c1-15-7-5-10-17(13-15)19-12-6-11-18-14-16-8-3-2-4-9-16/h2-4,8-9,15,17-18H,5-7,10-14H2,1H3
InChIKeySYJYHJNOWFSTEI-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.76
Rot. Bonds7

About N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine

N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine (PubChem CID 114783095) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine
PubChem CID114783095
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine
SMILESCC1CCCC(OCCCNCc2ccccc2)C1
InChIInChI=1S/C17H27NO/c1-15-7-5-10-17(13-15)19-12-6-11-18-14-16-8-3-2-4-9-16/h2-4,8-9,15,17-18H,5-7,10-14H2,1H3
InChIKeySYJYHJNOWFSTEI-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.76
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-benzyl-2-(3-methylcyclohexyl)sulfanylethanamine
CID 62720496
N-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine
CID 62597111
4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
CID 62455906
N-benzyl-3-(cyclohexylmethoxy)propan-1-amine
CID 114782937
N-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
CID 55077909
3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine
CID 79970546
2-(3-methylcyclohexyl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62598139
3-[3-(benzylamino)propoxy]oxolan-2-one
CID 106940940
3-methyl-N-phenylmethoxycyclohexan-1-amine
CID 64974323
N-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine
CID 62456835
N-benzyl-N'-cyclobutylethane-1,2-diamine
CID 71627766
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine?
The IUPAC name of N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine (CID 114783095) is N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine.
What is the SMILES notation for N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine?
The canonical SMILES for N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine is CC1CCCC(OCCCNCc2ccccc2)C1.
What is the InChIKey of N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine?
The InChIKey is SYJYHJNOWFSTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-15-7-5-10-17(13-15)19-12-6-11-18-14-16-8-3-2-4-9-16/h2-4,8-9,15,17-18H,5-7,10-14H2,1H3.
What are the key properties of N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine?
N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine is sourced from PubChem (CID 114783095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).