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

C12H25N — CID 58843354

IUPAC4-methyl-N,N-di(propan-2-yl)pent-2-en-1-amine
SMILESCC(C)C=CCN(C(C)C)C(C)C
InChIInChI=1S/C12H25N/c1-10(2)8-7-9-13(11(3)4)12(5)6/h7-8,10-12H,9H2,1-6H3
InChIKeyHDSLPYDPMCPNNJ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.32
Rot. Bonds5

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

4-methyl-N,N-di(propan-2-yl)pent-2-en-1-amine (PubChem CID 58843354) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 4-methyl-N,N-di(propan-2-yl)pent-2-en-1-amine.

Molecular Properties

Compound Name4-methyl-N,N-di(propan-2-yl)pent-2-en-1-amine
PubChem CID58843354
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name4-methyl-N,N-di(propan-2-yl)pent-2-en-1-amine
SMILESCC(C)C=CCN(C(C)C)C(C)C
InChIInChI=1S/C12H25N/c1-10(2)8-7-9-13(11(3)4)12(5)6/h7-8,10-12H,9H2,1-6H3
InChIKeyHDSLPYDPMCPNNJ-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
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 4-methyl-N,N-di(propan-2-yl)pent-2-en-1-amine?
The IUPAC name of 4-methyl-N,N-di(propan-2-yl)pent-2-en-1-amine (CID 58843354) is 4-methyl-N,N-di(propan-2-yl)pent-2-en-1-amine.
What is the SMILES notation for 4-methyl-N,N-di(propan-2-yl)pent-2-en-1-amine?
The canonical SMILES for 4-methyl-N,N-di(propan-2-yl)pent-2-en-1-amine is CC(C)C=CCN(C(C)C)C(C)C.
What is the InChIKey of 4-methyl-N,N-di(propan-2-yl)pent-2-en-1-amine?
The InChIKey is HDSLPYDPMCPNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)8-7-9-13(11(3)4)12(5)6/h7-8,10-12H,9H2,1-6H3.
What are the key properties of 4-methyl-N,N-di(propan-2-yl)pent-2-en-1-amine?
4-methyl-N,N-di(propan-2-yl)pent-2-en-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-di(propan-2-yl)pent-2-en-1-amine is sourced from PubChem (CID 58843354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).