N,N-bis(cyclopentylmethyl)-2-propoxyethanamine

C17H33NO — CID 162289778

IUPACN,N-bis(cyclopentylmethyl)-2-propoxyethanamine
SMILESCCCOCCN(CC1CCCC1)CC1CCCC1
InChIInChI=1S/C17H33NO/c1-2-12-19-13-11-18(14-16-7-3-4-8-16)15-17-9-5-6-10-17/h16-17H,2-15H2,1H3
InChIKeyLDBFYABEAFUHKY-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.10
Rot. Bonds9

About N,N-bis(cyclopentylmethyl)-2-propoxyethanamine

N,N-bis(cyclopentylmethyl)-2-propoxyethanamine (PubChem CID 162289778) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N,N-bis(cyclopentylmethyl)-2-propoxyethanamine.

Molecular Properties

Compound NameN,N-bis(cyclopentylmethyl)-2-propoxyethanamine
PubChem CID162289778
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN,N-bis(cyclopentylmethyl)-2-propoxyethanamine
SMILESCCCOCCN(CC1CCCC1)CC1CCCC1
InChIInChI=1S/C17H33NO/c1-2-12-19-13-11-18(14-16-7-3-4-8-16)15-17-9-5-6-10-17/h16-17H,2-15H2,1H3
InChIKeyLDBFYABEAFUHKY-UHFFFAOYSA-N
XLogP4.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 61445061
2-[2-[cyclopropylmethyl(ethyl)amino]ethoxy]ethanol
CID 63956453
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CID 106616009
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604137
N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 2058149
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 103181619
2-[2-[ethyl(piperidin-4-ylmethyl)amino]ethoxy]ethanol
CID 79717125
N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine
CID 63686610
N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 55089985
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
2-[cyclopentylmethyl(cyclopropylmethyl)amino]ethanol
CID 115593687
2-(2-propoxyethoxymethyl)piperidine
CID 63684377

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopentylmethyl)-2-propoxyethanamine?
The IUPAC name of N,N-bis(cyclopentylmethyl)-2-propoxyethanamine (CID 162289778) is N,N-bis(cyclopentylmethyl)-2-propoxyethanamine.
What is the SMILES notation for N,N-bis(cyclopentylmethyl)-2-propoxyethanamine?
The canonical SMILES for N,N-bis(cyclopentylmethyl)-2-propoxyethanamine is CCCOCCN(CC1CCCC1)CC1CCCC1.
What is the InChIKey of N,N-bis(cyclopentylmethyl)-2-propoxyethanamine?
The InChIKey is LDBFYABEAFUHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-2-12-19-13-11-18(14-16-7-3-4-8-16)15-17-9-5-6-10-17/h16-17H,2-15H2,1H3.
What are the key properties of N,N-bis(cyclopentylmethyl)-2-propoxyethanamine?
N,N-bis(cyclopentylmethyl)-2-propoxyethanamine has a molecular weight of 267.46 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclopentylmethyl)-2-propoxyethanamine is sourced from PubChem (CID 162289778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).