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

C10H19N — CID 126494573

IUPACN,3,3-trimethyl-N-prop-1-en-2-ylbut-1-en-2-amine
SMILESC=C(C)N(C)C(=C)C(C)(C)C
InChIInChI=1S/C10H19N/c1-8(2)11(7)9(3)10(4,5)6/h1,3H2,2,4-7H3
InChIKeyBKBFFLFQZZILIX-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.01
Rot. Bonds2

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

N,3,3-trimethyl-N-prop-1-en-2-ylbut-1-en-2-amine (PubChem CID 126494573) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N,3,3-trimethyl-N-prop-1-en-2-ylbut-1-en-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-N-prop-1-en-2-ylbut-1-en-2-amine
PubChem CID126494573
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN,3,3-trimethyl-N-prop-1-en-2-ylbut-1-en-2-amine
SMILESC=C(C)N(C)C(=C)C(C)(C)C
InChIInChI=1S/C10H19N/c1-8(2)11(7)9(3)10(4,5)6/h1,3H2,2,4-7H3
InChIKeyBKBFFLFQZZILIX-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N,3,3-Tetramethylbut-1-en-2-amine
CID 15619042
N-(2-fluoroethyl)-3-methyl-N-propylbut-1-en-2-amine
CID 130217215
N-(2-fluoro-2-methylpropyl)-N,3-dimethylbut-1-en-2-amine
CID 130436255
N-(2-fluoropropyl)-N,3-dimethylbut-1-en-2-amine
CID 132192306
N-(2-fluoropropyl)-N-methylbut-1-en-2-amine
CID 144557678
N,3-dimethyl-N-propylbut-1-en-2-amine
CID 12239640
But-1-en-2-yl(triethyl)azanium
CID 22247086
N,N-diethylbut-1-en-2-amine
CID 57024864
N,N-diethyl-3,3-dimethylbut-1-en-2-amine
CID 57588920
3,3-Dimethyl-1-(3-methylbut-1-en-2-yl)azetidine
CID 57798018
3-Methylbut-1-en-2-yl-tri(propan-2-yl)azanium
CID 58006273
N,N-diethylpent-1-en-2-amine
CID 58219859

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-prop-1-en-2-ylbut-1-en-2-amine?
The IUPAC name of N,3,3-trimethyl-N-prop-1-en-2-ylbut-1-en-2-amine (CID 126494573) is N,3,3-trimethyl-N-prop-1-en-2-ylbut-1-en-2-amine.
What is the SMILES notation for N,3,3-trimethyl-N-prop-1-en-2-ylbut-1-en-2-amine?
The canonical SMILES for N,3,3-trimethyl-N-prop-1-en-2-ylbut-1-en-2-amine is C=C(C)N(C)C(=C)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-N-prop-1-en-2-ylbut-1-en-2-amine?
The InChIKey is BKBFFLFQZZILIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)11(7)9(3)10(4,5)6/h1,3H2,2,4-7H3.
What are the key properties of N,3,3-trimethyl-N-prop-1-en-2-ylbut-1-en-2-amine?
N,3,3-trimethyl-N-prop-1-en-2-ylbut-1-en-2-amine has a molecular weight of 153.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-prop-1-en-2-ylbut-1-en-2-amine is sourced from PubChem (CID 126494573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).