N-[1-[1-(3-ethoxypropyl)cyclopropyl]ethyl]propan-1-amine

C13H27NO — CID 106798002

IUPACN-[1-[1-(3-ethoxypropyl)cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(CCCOCC)CC1
InChIInChI=1S/C13H27NO/c1-4-10-14-12(3)13(8-9-13)7-6-11-15-5-2/h12,14H,4-11H2,1-3H3
InChIKeyYABVLSUWJOMBAC-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds9

About N-[1-[1-(3-ethoxypropyl)cyclopropyl]ethyl]propan-1-amine

N-[1-[1-(3-ethoxypropyl)cyclopropyl]ethyl]propan-1-amine (PubChem CID 106798002) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[1-[1-(3-ethoxypropyl)cyclopropyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(3-ethoxypropyl)cyclopropyl]ethyl]propan-1-amine
PubChem CID106798002
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[1-[1-(3-ethoxypropyl)cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(CCCOCC)CC1
InChIInChI=1S/C13H27NO/c1-4-10-14-12(3)13(8-9-13)7-6-11-15-5-2/h12,14H,4-11H2,1-3H3
InChIKeyYABVLSUWJOMBAC-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
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-[1-[1-[3-(2-methoxyethoxy)propyl]cyclopropyl]ethyl]propan-1-amine
CID 106797997
N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine
CID 106797855
N-[1-[1-(2-methylbutyl)cyclopropyl]ethyl]propan-1-amine
CID 106797917
1-ethoxy-7-methyl-N-propyloctan-4-amine
CID 105127229
N-[1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropyl]ethyl]propan-1-amine
CID 106797949
1-cyclopentyl-5-ethoxy-N-propylpentan-2-amine
CID 105139073
4-ethoxy-1-(oxan-4-yl)-N-propylbutan-1-amine
CID 105147293
N-(3-ethoxypropyl)butan-2-amine
CID 43196213
4-ethoxy-1-propoxy-N-propylbutan-2-amine
CID 112688262
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine
CID 105144890
1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine
CID 62724574

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-ethoxypropyl)cyclopropyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(3-ethoxypropyl)cyclopropyl]ethyl]propan-1-amine (CID 106798002) is N-[1-[1-(3-ethoxypropyl)cyclopropyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(3-ethoxypropyl)cyclopropyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(3-ethoxypropyl)cyclopropyl]ethyl]propan-1-amine is CCCNC(C)C1(CCCOCC)CC1.
What is the InChIKey of N-[1-[1-(3-ethoxypropyl)cyclopropyl]ethyl]propan-1-amine?
The InChIKey is YABVLSUWJOMBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-10-14-12(3)13(8-9-13)7-6-11-15-5-2/h12,14H,4-11H2,1-3H3.
What are the key properties of N-[1-[1-(3-ethoxypropyl)cyclopropyl]ethyl]propan-1-amine?
N-[1-[1-(3-ethoxypropyl)cyclopropyl]ethyl]propan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-ethoxypropyl)cyclopropyl]ethyl]propan-1-amine is sourced from PubChem (CID 106798002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).