N-(cyclopentylmethyl)-2-heptoxyethanamine

C15H31NO — CID 62598497

IUPACN-(cyclopentylmethyl)-2-heptoxyethanamine
SMILESCCCCCCCOCCNCC1CCCC1
InChIInChI=1S/C15H31NO/c1-2-3-4-5-8-12-17-13-11-16-14-15-9-6-7-10-15/h15-16H,2-14H2,1H3
InChIKeyLOHGJFHBDNMBNF-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds11

About N-(cyclopentylmethyl)-2-heptoxyethanamine

N-(cyclopentylmethyl)-2-heptoxyethanamine (PubChem CID 62598497) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-heptoxyethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-heptoxyethanamine
PubChem CID62598497
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-(cyclopentylmethyl)-2-heptoxyethanamine
SMILESCCCCCCCOCCNCC1CCCC1
InChIInChI=1S/C15H31NO/c1-2-3-4-5-8-12-17-13-11-16-14-15-9-6-7-10-15/h15-16H,2-14H2,1H3
InChIKeyLOHGJFHBDNMBNF-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
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'}

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Related Compounds

N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine
CID 63686610
N-(cyclopentylmethyl)decan-1-amine
CID 63489737
N-(cyclobutylmethyl)heptan-1-amine
CID 43298237
2-butoxy-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63243752
2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
N-(oxolan-2-ylmethyl)-2-undecoxyethanamine
CID 22091535
N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine
CID 55194759
2-[2-[[(2S,5S)-5-(dodecoxymethyl)oxolan-2-yl]methylamino]ethoxy]ethanol
CID 118173215
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
N-(cyclopentylmethyl)-2-[2-(dimethylamino)ethoxy]ethanamine
CID 103952800
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
1-(2-butoxyethylamino)-3-cyclopentylpropan-2-ol
CID 103157414

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-heptoxyethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-heptoxyethanamine (CID 62598497) is N-(cyclopentylmethyl)-2-heptoxyethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-heptoxyethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-heptoxyethanamine is CCCCCCCOCCNCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-heptoxyethanamine?
The InChIKey is LOHGJFHBDNMBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-2-3-4-5-8-12-17-13-11-16-14-15-9-6-7-10-15/h15-16H,2-14H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-2-heptoxyethanamine?
N-(cyclopentylmethyl)-2-heptoxyethanamine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-heptoxyethanamine is sourced from PubChem (CID 62598497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).