(E)-N-[(E)-but-1-enyl]-N-methylbut-1-en-1-amine

C9H17N — CID 23150812

IUPAC(E)-N-[(E)-but-1-enyl]-N-methylbut-1-en-1-amine
SMILESCC/C=C/N(C)/C=C/CC
InChIInChI=1S/C9H17N/c1-4-6-8-10(3)9-7-5-2/h6-9H,4-5H2,1-3H3/b8-6+,9-7+
InChIKeySSIPETIQQYMQCO-CDJQDVQCSA-N
MW139.24 g/mol
LogP2.77
Rot. Bonds4

About (E)-N-[(E)-but-1-enyl]-N-methylbut-1-en-1-amine

(E)-N-[(E)-but-1-enyl]-N-methylbut-1-en-1-amine (PubChem CID 23150812) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (E)-N-[(E)-but-1-enyl]-N-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(E)-but-1-enyl]-N-methylbut-1-en-1-amine
PubChem CID23150812
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(E)-N-[(E)-but-1-enyl]-N-methylbut-1-en-1-amine
SMILESCC/C=C/N(C)/C=C/CC
InChIInChI=1S/C9H17N/c1-4-6-8-10(3)9-7-5-2/h6-9H,4-5H2,1-3H3/b8-6+,9-7+
InChIKeySSIPETIQQYMQCO-CDJQDVQCSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(Z)-but-1-enyl]-N'-ethyl-N-methylmethanimidamide
CID 163950051
(Z)-hex-3-ene;methylazanium
CID 158917607
N-methyl-N-oct-1-enyloct-1-en-1-amine
CID 74019016
(E)-N-methyl-N-(2-methylpropyl)but-1-en-1-amine
CID 174085741
N,N-dipropylbut-1-en-1-amine
CID 575133
N,N-bis(trimethylsilyl)but-1-en-1-amine
CID 73177613
N-[(Z)-but-1-enyl]-N-methylpropanamide
CID 142943923
(Z)-N-methyl-N-[(methylideneamino)methyl]but-1-en-1-amine
CID 134365422
hex-3-ene;sulfane
CID 174453265
hex-3-ene;hydrochloride
CID 159012047
N-(3-aminoprop-1-enyl)-N-methylformamide
CID 173464969
N,N-bis(but-1-enyl)butan-1-amine
CID 73433209

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-but-1-enyl]-N-methylbut-1-en-1-amine?
The IUPAC name of (E)-N-[(E)-but-1-enyl]-N-methylbut-1-en-1-amine (CID 23150812) is (E)-N-[(E)-but-1-enyl]-N-methylbut-1-en-1-amine.
What is the SMILES notation for (E)-N-[(E)-but-1-enyl]-N-methylbut-1-en-1-amine?
The canonical SMILES for (E)-N-[(E)-but-1-enyl]-N-methylbut-1-en-1-amine is CC/C=C/N(C)/C=C/CC.
What is the InChIKey of (E)-N-[(E)-but-1-enyl]-N-methylbut-1-en-1-amine?
The InChIKey is SSIPETIQQYMQCO-CDJQDVQCSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-8-10(3)9-7-5-2/h6-9H,4-5H2,1-3H3/b8-6+,9-7+.
What are the key properties of (E)-N-[(E)-but-1-enyl]-N-methylbut-1-en-1-amine?
(E)-N-[(E)-but-1-enyl]-N-methylbut-1-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-but-1-enyl]-N-methylbut-1-en-1-amine is sourced from PubChem (CID 23150812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).