N,2,3-trimethyl-N-propan-2-ylbut-2-en-1-amine

C10H21N — CID 118148097

IUPACN,2,3-trimethyl-N-propan-2-ylbut-2-en-1-amine
SMILESCC(C)=C(C)CN(C)C(C)C
InChIInChI=1S/C10H21N/c1-8(2)10(5)7-11(6)9(3)4/h9H,7H2,1-6H3
InChIKeyWHPWVBWZVQJIMG-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.68
Rot. Bonds3

About N,2,3-trimethyl-N-propan-2-ylbut-2-en-1-amine

N,2,3-trimethyl-N-propan-2-ylbut-2-en-1-amine (PubChem CID 118148097) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N,2,3-trimethyl-N-propan-2-ylbut-2-en-1-amine.

Molecular Properties

Compound NameN,2,3-trimethyl-N-propan-2-ylbut-2-en-1-amine
PubChem CID118148097
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN,2,3-trimethyl-N-propan-2-ylbut-2-en-1-amine
SMILESCC(C)=C(C)CN(C)C(C)C
InChIInChI=1S/C10H21N/c1-8(2)10(5)7-11(6)9(3)4/h9H,7H2,1-6H3
InChIKeyWHPWVBWZVQJIMG-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.68
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 N,2,3-trimethyl-N-propan-2-ylbut-2-en-1-amine?
The IUPAC name of N,2,3-trimethyl-N-propan-2-ylbut-2-en-1-amine (CID 118148097) is N,2,3-trimethyl-N-propan-2-ylbut-2-en-1-amine.
What is the SMILES notation for N,2,3-trimethyl-N-propan-2-ylbut-2-en-1-amine?
The canonical SMILES for N,2,3-trimethyl-N-propan-2-ylbut-2-en-1-amine is CC(C)=C(C)CN(C)C(C)C.
What is the InChIKey of N,2,3-trimethyl-N-propan-2-ylbut-2-en-1-amine?
The InChIKey is WHPWVBWZVQJIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-8(2)10(5)7-11(6)9(3)4/h9H,7H2,1-6H3.
What are the key properties of N,2,3-trimethyl-N-propan-2-ylbut-2-en-1-amine?
N,2,3-trimethyl-N-propan-2-ylbut-2-en-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-N-propan-2-ylbut-2-en-1-amine is sourced from PubChem (CID 118148097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).