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

C15H31NO — CID 55106499

IUPACN-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCCOCCC1(CNCCC)CCCC1
InChIInChI=1S/C15H31NO/c1-3-5-12-17-13-10-15(8-6-7-9-15)14-16-11-4-2/h16H,3-14H2,1-2H3
InChIKeySKGNCTMUCHJVFQ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds10

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

N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine (PubChem CID 55106499) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine
PubChem CID55106499
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCCOCCC1(CNCCC)CCCC1
InChIInChI=1S/C15H31NO/c1-3-5-12-17-13-10-15(8-6-7-9-15)14-16-11-4-2/h16H,3-14H2,1-2H3
InChIKeySKGNCTMUCHJVFQ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566642
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687
N-[[1-(2-butoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 65194383
1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane
CID 66048902
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine
CID 104566535
N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine
CID 55149572
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566649
N-[(1-hexylcyclopropyl)methyl]propan-1-amine
CID 66026661
N-[(1-nonylcyclopropyl)methyl]propan-1-amine
CID 66025330
N-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine
CID 103984505
N-[(1-pentoxycyclopentyl)methyl]propan-1-amine
CID 62110733
1-[(2-butoxyethylamino)methyl]cyclopentan-1-ol
CID 65108781

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine (CID 55106499) is N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine is CCCCOCCC1(CNCCC)CCCC1.
What is the InChIKey of N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is SKGNCTMUCHJVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-5-12-17-13-10-15(8-6-7-9-15)14-16-11-4-2/h16H,3-14H2,1-2H3.
What are the key properties of N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine?
N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 55106499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).