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

C14H31N — CID 159210280

IUPAC2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine;methane
SMILESC.CC(C)=C(C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C13H27N.CH4/c1-9(2)13(10(3)4)14(11(5)6)12(7)8;/h9,11-12H,1-8H3;1H4
InChIKeyKQKGXHYZUPERTL-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.69
Rot. Bonds4

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

2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine;methane (PubChem CID 159210280) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine;methane.

Molecular Properties

Compound Name2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine;methane
PubChem CID159210280
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine;methane
SMILESC.CC(C)=C(C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C13H27N.CH4/c1-9(2)13(10(3)4)14(11(5)6)12(7)8;/h9,11-12H,1-8H3;1H4
InChIKeyKQKGXHYZUPERTL-UHFFFAOYSA-N
XLogP4.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.69
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;methane?
The IUPAC name of 2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine;methane (CID 159210280) is 2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine;methane.
What is the SMILES notation for 2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine;methane?
The canonical SMILES for 2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine;methane is C.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;methane?
The InChIKey is KQKGXHYZUPERTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.CH4/c1-9(2)13(10(3)4)14(11(5)6)12(7)8;/h9,11-12H,1-8H3;1H4.
What are the key properties of 2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine;methane?
2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine;methane has a molecular weight of 213.41 g/mol, XLogP of 4.69, 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;methane is sourced from PubChem (CID 159210280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).