N-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine

C12H23N — CID 79330249

IUPACN-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine
SMILESCCC(=CC1CC1)CNC(C)(C)C
InChIInChI=1S/C12H23N/c1-5-10(8-11-6-7-11)9-13-12(2,3)4/h8,11,13H,5-7,9H2,1-4H3
InChIKeyDUEPOEIHZJLNAL-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.12
Rot. Bonds4

About N-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine

N-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine (PubChem CID 79330249) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine
PubChem CID79330249
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine
SMILESCCC(=CC1CC1)CNC(C)(C)C
InChIInChI=1S/C12H23N/c1-5-10(8-11-6-7-11)9-13-12(2,3)4/h8,11,13H,5-7,9H2,1-4H3
InChIKeyDUEPOEIHZJLNAL-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine?
The IUPAC name of N-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine (CID 79330249) is N-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine is CCC(=CC1CC1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine?
The InChIKey is DUEPOEIHZJLNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-10(8-11-6-7-11)9-13-12(2,3)4/h8,11,13H,5-7,9H2,1-4H3.
What are the key properties of N-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine?
N-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine is sourced from PubChem (CID 79330249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).