N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine

C14H29NO — CID 104649326

IUPACN-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine
SMILESCOCCCCC1(CNC(C)C)CCCC1
InChIInChI=1S/C14H29NO/c1-13(2)15-12-14(8-4-5-9-14)10-6-7-11-16-3/h13,15H,4-12H2,1-3H3
InChIKeyXINZUGUNNRUCCG-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds8

About N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine

N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 104649326) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine
PubChem CID104649326
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine
SMILESCOCCCCC1(CNC(C)C)CCCC1
InChIInChI=1S/C14H29NO/c1-13(2)15-12-14(8-4-5-9-14)10-6-7-11-16-3/h13,15H,4-12H2,1-3H3
InChIKeyXINZUGUNNRUCCG-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
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-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine
CID 104649319
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
N-[(1-decylcyclohexyl)methyl]propan-2-amine
CID 63507131
N-[(1-dodecylcyclobutyl)methyl]propan-2-amine
CID 65194668
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine
CID 115728783
N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]propan-2-amine
CID 63195697
N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 103984492
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine
CID 62723573
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine
CID 115728811
1-methoxy-N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine
CID 62257644
N-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine
CID 62260342
N-[[1-(2-butoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 65194383

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine (CID 104649326) is N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine is COCCCCC1(CNC(C)C)CCCC1.
What is the InChIKey of N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is XINZUGUNNRUCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2)15-12-14(8-4-5-9-14)10-6-7-11-16-3/h13,15H,4-12H2,1-3H3.
What are the key properties of N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine?
N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 104649326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).