1-(2,2-dimethylcyclopropyl)-2-methyl-N-propylprop-2-en-1-amine

C12H23N — CID 107004692

IUPAC1-(2,2-dimethylcyclopropyl)-2-methyl-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)C1CC1(C)C
InChIInChI=1S/C12H23N/c1-6-7-13-11(9(2)3)10-8-12(10,4)5/h10-11,13H,2,6-8H2,1,3-5H3
InChIKeyJVTAPBUITIMZMV-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.98
Rot. Bonds5

About 1-(2,2-dimethylcyclopropyl)-2-methyl-N-propylprop-2-en-1-amine

1-(2,2-dimethylcyclopropyl)-2-methyl-N-propylprop-2-en-1-amine (PubChem CID 107004692) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-2-methyl-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-2-methyl-N-propylprop-2-en-1-amine
PubChem CID107004692
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-(2,2-dimethylcyclopropyl)-2-methyl-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)C1CC1(C)C
InChIInChI=1S/C12H23N/c1-6-7-13-11(9(2)3)10-8-12(10,4)5/h10-11,13H,2,6-8H2,1,3-5H3
InChIKeyJVTAPBUITIMZMV-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.98
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

2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine
CID 79178837
N-[1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107004121
2-methyl-1-(1-methylcyclopentyl)-N-propylprop-2-en-1-amine
CID 105005477
2-methyl-1-(2-methyloxolan-3-yl)-N-propylprop-2-en-1-amine
CID 105005567
1-(1-adamantyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79189871
1-(3-ethyl-1,4-dithian-2-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 115388166
N-ethyl-2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-en-1-amine
CID 105005566
3-methyl-N-propylbut-3-en-2-amine
CID 79177488
1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine
CID 107004336
3-cyclopropyl-1-(2,2-dimethylcyclopropyl)-N-propylpropan-1-amine
CID 107004602
1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine
CID 107004333
N-ethyl-2-methyl-1-(2-methylcyclopropyl)prop-2-en-1-amine
CID 79177520

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-methyl-N-propylprop-2-en-1-amine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-methyl-N-propylprop-2-en-1-amine (CID 107004692) is 1-(2,2-dimethylcyclopropyl)-2-methyl-N-propylprop-2-en-1-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-2-methyl-N-propylprop-2-en-1-amine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-2-methyl-N-propylprop-2-en-1-amine is C=C(C)C(NCCC)C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-2-methyl-N-propylprop-2-en-1-amine?
The InChIKey is JVTAPBUITIMZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-6-7-13-11(9(2)3)10-8-12(10,4)5/h10-11,13H,2,6-8H2,1,3-5H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-2-methyl-N-propylprop-2-en-1-amine?
1-(2,2-dimethylcyclopropyl)-2-methyl-N-propylprop-2-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-2-methyl-N-propylprop-2-en-1-amine is sourced from PubChem (CID 107004692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).