2-methyl-1-(2-methylcyclopropyl)-N-propylprop-2-en-1-amine

C11H21N — CID 79177747

IUPAC2-methyl-1-(2-methylcyclopropyl)-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)C1CC1C
InChIInChI=1S/C11H21N/c1-5-6-12-11(8(2)3)10-7-9(10)4/h9-12H,2,5-7H2,1,3-4H3
InChIKeyALFQBPUZKQHGCH-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.59
Rot. Bonds5

About 2-methyl-1-(2-methylcyclopropyl)-N-propylprop-2-en-1-amine

2-methyl-1-(2-methylcyclopropyl)-N-propylprop-2-en-1-amine (PubChem CID 79177747) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-methyl-1-(2-methylcyclopropyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-1-(2-methylcyclopropyl)-N-propylprop-2-en-1-amine
PubChem CID79177747
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-methyl-1-(2-methylcyclopropyl)-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)C1CC1C
InChIInChI=1S/C11H21N/c1-5-6-12-11(8(2)3)10-7-9(10)4/h9-12H,2,5-7H2,1,3-4H3
InChIKeyALFQBPUZKQHGCH-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 91101622
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2,5-dimethyl-N-propylhex-5-en-3-amine
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N-ethyl-5-methylideneheptan-3-amine
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CID 68040658
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CID 70253855

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylcyclopropyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-methyl-1-(2-methylcyclopropyl)-N-propylprop-2-en-1-amine (CID 79177747) is 2-methyl-1-(2-methylcyclopropyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-methyl-1-(2-methylcyclopropyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-methyl-1-(2-methylcyclopropyl)-N-propylprop-2-en-1-amine is C=C(C)C(NCCC)C1CC1C.
What is the InChIKey of 2-methyl-1-(2-methylcyclopropyl)-N-propylprop-2-en-1-amine?
The InChIKey is ALFQBPUZKQHGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-6-12-11(8(2)3)10-7-9(10)4/h9-12H,2,5-7H2,1,3-4H3.
What are the key properties of 2-methyl-1-(2-methylcyclopropyl)-N-propylprop-2-en-1-amine?
2-methyl-1-(2-methylcyclopropyl)-N-propylprop-2-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylcyclopropyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 79177747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).