N-[(2-ethylcyclopropen-1-yl)methyl]-N-propylbutan-1-amine

C13H25N — CID 170243707

IUPACN-[(2-ethylcyclopropen-1-yl)methyl]-N-propylbutan-1-amine
SMILESCCCCN(CCC)CC1=C(CC)C1
InChIInChI=1S/C13H25N/c1-4-7-9-14(8-5-2)11-13-10-12(13)6-3/h4-11H2,1-3H3
InChIKeyHMGWYWDTBWEXCT-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.61
Rot. Bonds8

About N-[(2-ethylcyclopropen-1-yl)methyl]-N-propylbutan-1-amine

N-[(2-ethylcyclopropen-1-yl)methyl]-N-propylbutan-1-amine (PubChem CID 170243707) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-[(2-ethylcyclopropen-1-yl)methyl]-N-propylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylcyclopropen-1-yl)methyl]-N-propylbutan-1-amine
PubChem CID170243707
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-[(2-ethylcyclopropen-1-yl)methyl]-N-propylbutan-1-amine
SMILESCCCCN(CCC)CC1=C(CC)C1
InChIInChI=1S/C13H25N/c1-4-7-9-14(8-5-2)11-13-10-12(13)6-3/h4-11H2,1-3H3
InChIKeyHMGWYWDTBWEXCT-UHFFFAOYSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N-ethyl-N-propylbutan-1-amine;pentane
CID 143329949
N-(2-bromoethyl)-N-propylbutan-1-amine
CID 80672792
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
N-dodecyl-N-propylpentadecan-1-amine;tridecane
CID 177194050
N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
N-(2-iodoethyl)-N-propylbutan-1-amine
CID 143831432
bromomethane;N,N-dibutylbutan-1-amine
CID 87916924

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylcyclopropen-1-yl)methyl]-N-propylbutan-1-amine?
The IUPAC name of N-[(2-ethylcyclopropen-1-yl)methyl]-N-propylbutan-1-amine (CID 170243707) is N-[(2-ethylcyclopropen-1-yl)methyl]-N-propylbutan-1-amine.
What is the SMILES notation for N-[(2-ethylcyclopropen-1-yl)methyl]-N-propylbutan-1-amine?
The canonical SMILES for N-[(2-ethylcyclopropen-1-yl)methyl]-N-propylbutan-1-amine is CCCCN(CCC)CC1=C(CC)C1.
What is the InChIKey of N-[(2-ethylcyclopropen-1-yl)methyl]-N-propylbutan-1-amine?
The InChIKey is HMGWYWDTBWEXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-7-9-14(8-5-2)11-13-10-12(13)6-3/h4-11H2,1-3H3.
What are the key properties of N-[(2-ethylcyclopropen-1-yl)methyl]-N-propylbutan-1-amine?
N-[(2-ethylcyclopropen-1-yl)methyl]-N-propylbutan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylcyclopropen-1-yl)methyl]-N-propylbutan-1-amine is sourced from PubChem (CID 170243707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).