3-methoxy-3-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]butan-1-amine

C16H33NO — CID 103033445

IUPAC3-methoxy-3-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]butan-1-amine
SMILESCOC(C)(C)CCNCC1(CC(C)C)CCCC1
InChIInChI=1S/C16H33NO/c1-14(2)12-16(8-6-7-9-16)13-17-11-10-15(3,4)18-5/h14,17H,6-13H2,1-5H3
InChIKeyHCMCYJFSQBGVBM-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds8

About 3-methoxy-3-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]butan-1-amine

3-methoxy-3-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]butan-1-amine (PubChem CID 103033445) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]butan-1-amine
PubChem CID103033445
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name3-methoxy-3-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]butan-1-amine
SMILESCOC(C)(C)CCNCC1(CC(C)C)CCCC1
InChIInChI=1S/C16H33NO/c1-14(2)12-16(8-6-7-9-16)13-17-11-10-15(3,4)18-5/h14,17H,6-13H2,1-5H3
InChIKeyHCMCYJFSQBGVBM-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
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-(cyclopentylmethyl)-3-methoxy-3-methylbutan-1-amine
CID 103033136
N-(2-cyclopentylethyl)-3-methoxy-3-methylbutan-1-amine
CID 103033175
N-(3-methoxy-3-methylbutyl)-2,2-dimethylheptan-1-amine
CID 103033452
N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 103036778
N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-4,4,6,6-tetramethyl-2-(2,2,4,4-tetramethylpentyl)heptan-1-amine
CID 89001621
4,4,6,6-tetramethyl-N-[3-methyl-3-(3-methylbutoxy)butyl]heptan-1-amine
CID 89001623
2,2,4,4-tetramethyl-N'-[3-methyl-3-(3-methylbutoxy)butyl]heptane-1,7-diamine
CID 89001624
2-cyclopentyl-N-ethyl-2-(methoxymethyl)decan-1-amine
CID 139968933
N-(3-methoxypropyl)-15,15-dimethylhexadecan-1-amine
CID 167268905
N-(4-methoxy-4-methylpentan-2-yl)-7-methyloctan-1-amine
CID 43147226
N-[[1-(2-ethylhexyl)cyclopentyl]methyl]-2-methoxyethanamine
CID 55196049
2-(cyclopentylmethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 63507414

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]butan-1-amine (CID 103033445) is 3-methoxy-3-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]butan-1-amine is COC(C)(C)CCNCC1(CC(C)C)CCCC1.
What is the InChIKey of 3-methoxy-3-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]butan-1-amine?
The InChIKey is HCMCYJFSQBGVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-14(2)12-16(8-6-7-9-16)13-17-11-10-15(3,4)18-5/h14,17H,6-13H2,1-5H3.
What are the key properties of 3-methoxy-3-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]butan-1-amine?
3-methoxy-3-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]butan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]butan-1-amine is sourced from PubChem (CID 103033445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).