N-[2-(2-cyclopropylethoxy)ethyl]-4-methylpentan-1-amine

C13H27NO — CID 106206257

IUPACN-[2-(2-cyclopropylethoxy)ethyl]-4-methylpentan-1-amine
SMILESCC(C)CCCNCCOCCC1CC1
InChIInChI=1S/C13H27NO/c1-12(2)4-3-8-14-9-11-15-10-7-13-5-6-13/h12-14H,3-11H2,1-2H3
InChIKeyNORCCCPLWUOXGZ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds10

About N-[2-(2-cyclopropylethoxy)ethyl]-4-methylpentan-1-amine

N-[2-(2-cyclopropylethoxy)ethyl]-4-methylpentan-1-amine (PubChem CID 106206257) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[2-(2-cyclopropylethoxy)ethyl]-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-[2-(2-cyclopropylethoxy)ethyl]-4-methylpentan-1-amine
PubChem CID106206257
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[2-(2-cyclopropylethoxy)ethyl]-4-methylpentan-1-amine
SMILESCC(C)CCCNCCOCCC1CC1
InChIInChI=1S/C13H27NO/c1-12(2)4-3-8-14-9-11-15-10-7-13-5-6-13/h12-14H,3-11H2,1-2H3
InChIKeyNORCCCPLWUOXGZ-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
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-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine
CID 106206265
N-[2-(2-cyclobutylethoxy)ethyl]-2-methylpropan-1-amine
CID 106205978
N-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine
CID 106206340
6-(2-cyclopropylethoxy)-N-methylhexan-2-amine
CID 106200767
5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine
CID 163400443
N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 166800536
N-(2-methoxyethyl)-4-(4-methylpentoxy)butan-1-amine
CID 62597263
5-(2-cyclopropylethoxy)-N-propan-2-ylpentan-1-amine
CID 106205729
N-[(3-chlorocyclopentyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 106121063
2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen
CID 157169252
N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 61483947
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylethoxy)ethyl]-4-methylpentan-1-amine?
The IUPAC name of N-[2-(2-cyclopropylethoxy)ethyl]-4-methylpentan-1-amine (CID 106206257) is N-[2-(2-cyclopropylethoxy)ethyl]-4-methylpentan-1-amine.
What is the SMILES notation for N-[2-(2-cyclopropylethoxy)ethyl]-4-methylpentan-1-amine?
The canonical SMILES for N-[2-(2-cyclopropylethoxy)ethyl]-4-methylpentan-1-amine is CC(C)CCCNCCOCCC1CC1.
What is the InChIKey of N-[2-(2-cyclopropylethoxy)ethyl]-4-methylpentan-1-amine?
The InChIKey is NORCCCPLWUOXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2)4-3-8-14-9-11-15-10-7-13-5-6-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-[2-(2-cyclopropylethoxy)ethyl]-4-methylpentan-1-amine?
N-[2-(2-cyclopropylethoxy)ethyl]-4-methylpentan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylethoxy)ethyl]-4-methylpentan-1-amine is sourced from PubChem (CID 106206257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).