(E)-3-methyl-N,N-di(propan-2-yl)but-1-en-1-amine

C11H23N — CID 134853882

IUPAC(E)-3-methyl-N,N-di(propan-2-yl)but-1-en-1-amine
SMILESCC(C)/C=C/N(C(C)C)C(C)C
InChIInChI=1S/C11H23N/c1-9(2)7-8-12(10(3)4)11(5)6/h7-11H,1-6H3/b8-7+
InChIKeyYPCVRESKWSOFOT-BQYQJAHWSA-N
MW169.31 g/mol
LogP3.27
Rot. Bonds4

About (E)-3-methyl-N,N-di(propan-2-yl)but-1-en-1-amine

(E)-3-methyl-N,N-di(propan-2-yl)but-1-en-1-amine (PubChem CID 134853882) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (E)-3-methyl-N,N-di(propan-2-yl)but-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-methyl-N,N-di(propan-2-yl)but-1-en-1-amine
PubChem CID134853882
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(E)-3-methyl-N,N-di(propan-2-yl)but-1-en-1-amine
SMILESCC(C)/C=C/N(C(C)C)C(C)C
InChIInChI=1S/C11H23N/c1-9(2)7-8-12(10(3)4)11(5)6/h7-11H,1-6H3/b8-7+
InChIKeyYPCVRESKWSOFOT-BQYQJAHWSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Butene-1,3-diamine, N1,N1,N3,N3-tetramethyl-
CID 86547
(E)-N-tert-butyl-N-propan-2-ylhex-1-en-1-amine
CID 101736325
1-Buten-1-amine, N,N-dipropyl-
CID 575133
(E)-N,N-diethylbut-1-en-1-amine
CID 12664030
dimethyl-[(E)-3-methyl-but-1-enyl]-amine
CID 13611575
1-propan-2-yl-4H-pyridine
CID 57891989
(E)-N-[(2R)-1-fluoropropan-2-yl]-N-methylbut-1-en-1-amine
CID 163510067
Mirogabalin Impurity 123
CID 5370462
(E)-N-(2-methylpropyl)-N-prop-2-enylbut-1-en-1-amine
CID 15063983
(E)-N,N-di(propan-2-yl)prop-1-en-1-amine
CID 45087879
N,N-diallylamino-1-butene-1-yne
CID 85934007
4-methyl-1-propan-2-yl-4H-pyridine
CID 134906406

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-N,N-di(propan-2-yl)but-1-en-1-amine?
The IUPAC name of (E)-3-methyl-N,N-di(propan-2-yl)but-1-en-1-amine (CID 134853882) is (E)-3-methyl-N,N-di(propan-2-yl)but-1-en-1-amine.
What is the SMILES notation for (E)-3-methyl-N,N-di(propan-2-yl)but-1-en-1-amine?
The canonical SMILES for (E)-3-methyl-N,N-di(propan-2-yl)but-1-en-1-amine is CC(C)/C=C/N(C(C)C)C(C)C.
What is the InChIKey of (E)-3-methyl-N,N-di(propan-2-yl)but-1-en-1-amine?
The InChIKey is YPCVRESKWSOFOT-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H23N/c1-9(2)7-8-12(10(3)4)11(5)6/h7-11H,1-6H3/b8-7+.
What are the key properties of (E)-3-methyl-N,N-di(propan-2-yl)but-1-en-1-amine?
(E)-3-methyl-N,N-di(propan-2-yl)but-1-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-N,N-di(propan-2-yl)but-1-en-1-amine is sourced from PubChem (CID 134853882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).