N-ethyl-2-methyl-1-(2-methylcyclopropyl)prop-2-en-1-amine

C10H19N — CID 79177520

IUPACN-ethyl-2-methyl-1-(2-methylcyclopropyl)prop-2-en-1-amine
SMILESC=C(C)C(NCC)C1CC1C
InChIInChI=1S/C10H19N/c1-5-11-10(7(2)3)9-6-8(9)4/h8-11H,2,5-6H2,1,3-4H3
InChIKeyYGACBFPEDAAFKW-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.20
Rot. Bonds4

About N-ethyl-2-methyl-1-(2-methylcyclopropyl)prop-2-en-1-amine

N-ethyl-2-methyl-1-(2-methylcyclopropyl)prop-2-en-1-amine (PubChem CID 79177520) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(2-methylcyclopropyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(2-methylcyclopropyl)prop-2-en-1-amine
PubChem CID79177520
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-ethyl-2-methyl-1-(2-methylcyclopropyl)prop-2-en-1-amine
SMILESC=C(C)C(NCC)C1CC1C
InChIInChI=1S/C10H19N/c1-5-11-10(7(2)3)9-6-8(9)4/h8-11H,2,5-6H2,1,3-4H3
InChIKeyYGACBFPEDAAFKW-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(2-methylcyclopropyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(2-methylcyclopropyl)prop-2-en-1-amine (CID 79177520) is N-ethyl-2-methyl-1-(2-methylcyclopropyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(2-methylcyclopropyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(2-methylcyclopropyl)prop-2-en-1-amine is C=C(C)C(NCC)C1CC1C.
What is the InChIKey of N-ethyl-2-methyl-1-(2-methylcyclopropyl)prop-2-en-1-amine?
The InChIKey is YGACBFPEDAAFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-5-11-10(7(2)3)9-6-8(9)4/h8-11H,2,5-6H2,1,3-4H3.
What are the key properties of N-ethyl-2-methyl-1-(2-methylcyclopropyl)prop-2-en-1-amine?
N-ethyl-2-methyl-1-(2-methylcyclopropyl)prop-2-en-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(2-methylcyclopropyl)prop-2-en-1-amine is sourced from PubChem (CID 79177520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).