N-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine

C11H23NO — CID 106206265

IUPACN-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine
SMILESCCCCNCCOCCC1CC1
InChIInChI=1S/C11H23NO/c1-2-3-7-12-8-10-13-9-6-11-4-5-11/h11-12H,2-10H2,1H3
InChIKeyOVCQAVAJDKCXTI-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds9

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

N-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine (PubChem CID 106206265) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine
PubChem CID106206265
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine
SMILESCCCCNCCOCCC1CC1
InChIInChI=1S/C11H23NO/c1-2-3-7-12-8-10-13-9-6-11-4-5-11/h11-12H,2-10H2,1H3
InChIKeyOVCQAVAJDKCXTI-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
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-[2-(2-cyclopropylethoxy)ethyl]-4-methylpentan-1-amine
CID 106206257
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
N-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine
CID 106206340
N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine
CID 114191011
3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine
CID 82223866
2-butoxy-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63243752
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
N-[2-[2-(tert-butylamino)ethoxy]ethyl]butan-1-amine
CID 149134271
N-[2-(oxan-4-ylmethoxy)ethyl]butan-1-amine
CID 62583465
2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124
N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine
CID 43130311

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine?
The IUPAC name of N-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine (CID 106206265) is N-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine.
What is the SMILES notation for N-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine?
The canonical SMILES for N-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine is CCCCNCCOCCC1CC1.
What is the InChIKey of N-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine?
The InChIKey is OVCQAVAJDKCXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-2-3-7-12-8-10-13-9-6-11-4-5-11/h11-12H,2-10H2,1H3.
What are the key properties of N-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine?
N-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 9 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]butan-1-amine is sourced from PubChem (CID 106206265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).