2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine

C13H27N — CID 59242762

IUPAC2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine
SMILESCC(C)=C(C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C13H27N/c1-9(2)13(10(3)4)14(11(5)6)12(7)8/h9,11-12H,1-8H3
InChIKeyYQKIMRADJQWXCA-UHFFFAOYSA-N
MW197.37 g/mol
LogP4.06
Rot. Bonds4

About 2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine

2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine (PubChem CID 59242762) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine.

Molecular Properties

Compound Name2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine
PubChem CID59242762
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine
SMILESCC(C)=C(C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C13H27N/c1-9(2)13(10(3)4)14(11(5)6)12(7)8/h9,11-12H,1-8H3
InChIKeyYQKIMRADJQWXCA-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine?
The IUPAC name of 2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine (CID 59242762) is 2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine.
What is the SMILES notation for 2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine?
The canonical SMILES for 2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine is CC(C)=C(C(C)C)N(C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine?
The InChIKey is YQKIMRADJQWXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-9(2)13(10(3)4)14(11(5)6)12(7)8/h9,11-12H,1-8H3.
What are the key properties of 2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine?
2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine has a molecular weight of 197.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine is sourced from PubChem (CID 59242762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).