N-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine

C12H25NO — CID 103984505

IUPACN-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(COCC)CCCC1
InChIInChI=1S/C12H25NO/c1-3-9-13-10-12(11-14-4-2)7-5-6-8-12/h13H,3-11H2,1-2H3
InChIKeyJURNHZHNQVBSFS-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds7

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

N-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine (PubChem CID 103984505) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine
PubChem CID103984505
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(COCC)CCCC1
InChIInChI=1S/C12H25NO/c1-3-9-13-10-12(11-14-4-2)7-5-6-8-12/h13H,3-11H2,1-2H3
InChIKeyJURNHZHNQVBSFS-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
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-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine
CID 103984489
N-[[1-(ethoxymethyl)cyclopentyl]methyl]ethanamine
CID 103984503
N-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]propan-1-amine
CID 106930739
N-[[1-(ethoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 103984513
N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine
CID 55106499
N-[[1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 103984495
N-[[1-(trimethylsilylmethyl)cyclopentyl]methyl]propan-1-amine
CID 106323454
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687
1-(ethoxymethyl)-1-(methoxymethyl)cyclobutane
CID 122494327
N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine
CID 102940561
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 62723982
N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine
CID 63509381

Frequently Asked Questions

What is the IUPAC name of N-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine (CID 103984505) is N-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine is CCCNCC1(COCC)CCCC1.
What is the InChIKey of N-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is JURNHZHNQVBSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-9-13-10-12(11-14-4-2)7-5-6-8-12/h13H,3-11H2,1-2H3.
What are the key properties of N-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine?
N-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 103984505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).