N-[(2,2,3,3-tetramethylcyclopropyl)methyl]but-3-en-2-amine

C12H23N — CID 107907254

IUPACN-[(2,2,3,3-tetramethylcyclopropyl)methyl]but-3-en-2-amine
SMILESC=CC(C)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C12H23N/c1-7-9(2)13-8-10-11(3,4)12(10,5)6/h7,9-10,13H,1,8H2,2-6H3
InChIKeyGWJNGTBNQLSPPD-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.83
Rot. Bonds4

About N-[(2,2,3,3-tetramethylcyclopropyl)methyl]but-3-en-2-amine

N-[(2,2,3,3-tetramethylcyclopropyl)methyl]but-3-en-2-amine (PubChem CID 107907254) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[(2,2,3,3-tetramethylcyclopropyl)methyl]but-3-en-2-amine.

Molecular Properties

Compound NameN-[(2,2,3,3-tetramethylcyclopropyl)methyl]but-3-en-2-amine
PubChem CID107907254
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[(2,2,3,3-tetramethylcyclopropyl)methyl]but-3-en-2-amine
SMILESC=CC(C)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C12H23N/c1-7-9(2)13-8-10-11(3,4)12(10,5)6/h7,9-10,13H,1,8H2,2-6H3
InChIKeyGWJNGTBNQLSPPD-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.83
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

3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 10081888
N-ethyl-1-(2-fluoro-1-methylcyclopropyl)prop-2-en-1-amine
CID 131227602
N-but-3-enyl-3,5,5-trimethylhexan-1-amine
CID 54458938
3,3-dimethyl-N-pent-1-en-3-ylpentan-2-amine
CID 89195438
N-butan-2-yl-4,4-dimethylhex-1-en-3-amine
CID 89226714
5-methyl-N-propylhept-1-en-3-amine
CID 105000936
1-(2-methylcyclopropyl)-N-prop-2-enylpropan-2-amine
CID 123348750
N-but-3-enyl-3,4-dimethylhex-5-en-2-amine
CID 123718494
(4S)-4-ethyl-N,5-dimethylhex-1-en-3-amine
CID 126548996
N-but-3-en-2-yl-3-methylpentan-1-amine
CID 129252685
N-(3-cyclopropylbutan-2-yl)-4,4-dimethylpent-1-en-2-amine
CID 134187656
N,5,6-trimethylhept-1-en-3-amine
CID 134250713

Frequently Asked Questions

What is the IUPAC name of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]but-3-en-2-amine?
The IUPAC name of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]but-3-en-2-amine (CID 107907254) is N-[(2,2,3,3-tetramethylcyclopropyl)methyl]but-3-en-2-amine.
What is the SMILES notation for N-[(2,2,3,3-tetramethylcyclopropyl)methyl]but-3-en-2-amine?
The canonical SMILES for N-[(2,2,3,3-tetramethylcyclopropyl)methyl]but-3-en-2-amine is C=CC(C)NCC1C(C)(C)C1(C)C.
What is the InChIKey of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]but-3-en-2-amine?
The InChIKey is GWJNGTBNQLSPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-7-9(2)13-8-10-11(3,4)12(10,5)6/h7,9-10,13H,1,8H2,2-6H3.
What are the key properties of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]but-3-en-2-amine?
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]but-3-en-2-amine has a molecular weight of 181.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2,3,3-tetramethylcyclopropyl)methyl]but-3-en-2-amine is sourced from PubChem (CID 107907254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).