N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine

C12H23NO — CID 62599762

IUPACN-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine
SMILESC1CCC(CNCCOCC2CC2)C1
InChIInChI=1S/C12H23NO/c1-2-4-11(3-1)9-13-7-8-14-10-12-5-6-12/h11-13H,1-10H2
InChIKeyHVVLSOOOQDCMSB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds7

About N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine

N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine (PubChem CID 62599762) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine
PubChem CID62599762
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine
SMILESC1CCC(CNCCOCC2CC2)C1
InChIInChI=1S/C12H23NO/c1-2-4-11(3-1)9-13-7-8-14-10-12-5-6-12/h11-13H,1-10H2
InChIKeyHVVLSOOOQDCMSB-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
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-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine
CID 62584968
2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 115868513
2-(cyclobutylmethoxy)-N-ethylethanamine
CID 65457853
N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62567695
N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine
CID 63686610
N-[2-(cyclopentylmethoxy)ethyl]-3-methoxypropan-1-amine
CID 66322077
N-[2-(cyclohexylmethoxy)ethyl]formamide
CID 164604134
N-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine
CID 62582719
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727
N-[2-(cyclopropylmethoxy)ethyl]cyclooctanamine
CID 115718328
N-(cyclopentylmethyl)-2-heptoxyethanamine
CID 62598497
N-(cyclopentylmethyl)-2-[2-(dimethylamino)ethoxy]ethanamine
CID 103952800

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine (CID 62599762) is N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine is C1CCC(CNCCOCC2CC2)C1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine?
The InChIKey is HVVLSOOOQDCMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-4-11(3-1)9-13-7-8-14-10-12-5-6-12/h11-13H,1-10H2.
What are the key properties of N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine?
N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine is sourced from PubChem (CID 62599762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).