(E)-N-methyl-N-(2-methylpropyl)but-1-en-1-amine

C9H19N — CID 174085741

IUPAC(E)-N-methyl-N-(2-methylpropyl)but-1-en-1-amine
SMILESCC/C=C/N(C)CC(C)C
InChIInChI=1S/C9H19N/c1-5-6-7-10(4)8-9(2)3/h6-7,9H,5,8H2,1-4H3/b7-6+
InChIKeyVNDAUCFPWZFJIF-VOTSOKGWSA-N
MW141.26 g/mol
LogP2.50
Rot. Bonds4

About (E)-N-methyl-N-(2-methylpropyl)but-1-en-1-amine

(E)-N-methyl-N-(2-methylpropyl)but-1-en-1-amine (PubChem CID 174085741) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (E)-N-methyl-N-(2-methylpropyl)but-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-N-(2-methylpropyl)but-1-en-1-amine
PubChem CID174085741
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(E)-N-methyl-N-(2-methylpropyl)but-1-en-1-amine
SMILESCC/C=C/N(C)CC(C)C
InChIInChI=1S/C9H19N/c1-5-6-7-10(4)8-9(2)3/h6-7,9H,5,8H2,1-4H3/b7-6+
InChIKeyVNDAUCFPWZFJIF-VOTSOKGWSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N-[(E)-but-1-enyl]-N-methylbut-1-en-1-amine
CID 23150812
(Z)-N-methyl-N-[(methylideneamino)methyl]but-1-en-1-amine
CID 134365422
N'-but-1-enyl-N-ethyl-N'-methylethane-1,2-diamine
CID 123878182
1-[butan-2-yl-[(Z)-but-1-enyl]amino]ethanol
CID 163455337
(Z)-hex-3-ene;methylazanium
CID 158917607
(5E)-octa-3,5-diene
CID 173104147
8-methylnon-3-ene
CID 54424784
(Z)-N,2-dimethyl-N-(2-methylpropyl)hex-3-en-3-amine
CID 142258337
ethane;N-ethyl-N,2-dimethylpropan-1-amine
CID 143400672
(E)-2-bromohex-3-ene
CID 15881334
N-[(Z)-but-1-enyl]-N'-ethyl-N-methylmethanimidamide
CID 163950051
5,6,9-trimethyldeca-3,6-diene
CID 123852281

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-(2-methylpropyl)but-1-en-1-amine?
The IUPAC name of (E)-N-methyl-N-(2-methylpropyl)but-1-en-1-amine (CID 174085741) is (E)-N-methyl-N-(2-methylpropyl)but-1-en-1-amine.
What is the SMILES notation for (E)-N-methyl-N-(2-methylpropyl)but-1-en-1-amine?
The canonical SMILES for (E)-N-methyl-N-(2-methylpropyl)but-1-en-1-amine is CC/C=C/N(C)CC(C)C.
What is the InChIKey of (E)-N-methyl-N-(2-methylpropyl)but-1-en-1-amine?
The InChIKey is VNDAUCFPWZFJIF-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H19N/c1-5-6-7-10(4)8-9(2)3/h6-7,9H,5,8H2,1-4H3/b7-6+.
What are the key properties of (E)-N-methyl-N-(2-methylpropyl)but-1-en-1-amine?
(E)-N-methyl-N-(2-methylpropyl)but-1-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-(2-methylpropyl)but-1-en-1-amine is sourced from PubChem (CID 174085741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).