4-methyl-N,2-di(propan-2-yl)pent-2-en-1-amine

C12H25N — CID 79339268

IUPAC4-methyl-N,2-di(propan-2-yl)pent-2-en-1-amine
SMILESCC(C)C=C(CNC(C)C)C(C)C
InChIInChI=1S/C12H25N/c1-9(2)7-12(10(3)4)8-13-11(5)6/h7,9-11,13H,8H2,1-6H3
InChIKeyZXLVETXKEBGUSC-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.22
Rot. Bonds5

About 4-methyl-N,2-di(propan-2-yl)pent-2-en-1-amine

4-methyl-N,2-di(propan-2-yl)pent-2-en-1-amine (PubChem CID 79339268) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 4-methyl-N,2-di(propan-2-yl)pent-2-en-1-amine.

Molecular Properties

Compound Name4-methyl-N,2-di(propan-2-yl)pent-2-en-1-amine
PubChem CID79339268
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name4-methyl-N,2-di(propan-2-yl)pent-2-en-1-amine
SMILESCC(C)C=C(CNC(C)C)C(C)C
InChIInChI=1S/C12H25N/c1-9(2)7-12(10(3)4)8-13-11(5)6/h7,9-11,13H,8H2,1-6H3
InChIKeyZXLVETXKEBGUSC-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.22
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

(Z)-N,2-di(propan-2-yl)hept-2-en-1-amine
CID 139548782
(2Z)-4-N-phosphanyl-1-N,2-di(propan-2-yl)penta-2,4-diene-1,4-diamine
CID 155021868
2,6-dimethyl-4-propan-2-ylhept-3-ene
CID 123759712
3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 115278136
2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338727
2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338904
2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338998
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79339803
(E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine
CID 156896524
(2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 81313344
3-methyl-2-(naphthalen-2-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 79339001
2-(propan-2-ylamino)-N-pyrrol-1-ylacetamide
CID 79101494

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,2-di(propan-2-yl)pent-2-en-1-amine?
The IUPAC name of 4-methyl-N,2-di(propan-2-yl)pent-2-en-1-amine (CID 79339268) is 4-methyl-N,2-di(propan-2-yl)pent-2-en-1-amine.
What is the SMILES notation for 4-methyl-N,2-di(propan-2-yl)pent-2-en-1-amine?
The canonical SMILES for 4-methyl-N,2-di(propan-2-yl)pent-2-en-1-amine is CC(C)C=C(CNC(C)C)C(C)C.
What is the InChIKey of 4-methyl-N,2-di(propan-2-yl)pent-2-en-1-amine?
The InChIKey is ZXLVETXKEBGUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)7-12(10(3)4)8-13-11(5)6/h7,9-11,13H,8H2,1-6H3.
What are the key properties of 4-methyl-N,2-di(propan-2-yl)pent-2-en-1-amine?
4-methyl-N,2-di(propan-2-yl)pent-2-en-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,2-di(propan-2-yl)pent-2-en-1-amine is sourced from PubChem (CID 79339268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).