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

C8H17N — CID 11122565

IUPAC(E)-N-(2-methylpropyl)but-1-en-1-amine
SMILESCC/C=C/NCC(C)C
InChIInChI=1S/C8H17N/c1-4-5-6-9-7-8(2)3/h5-6,8-9H,4,7H2,1-3H3/b6-5+
InChIKeyKLHDZTMIDYWSPZ-AATRIKPKSA-N
MW127.23 g/mol
LogP2.16
Rot. Bonds4

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

(E)-N-(2-methylpropyl)but-1-en-1-amine (PubChem CID 11122565) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (E)-N-(2-methylpropyl)but-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-methylpropyl)but-1-en-1-amine
PubChem CID11122565
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(E)-N-(2-methylpropyl)but-1-en-1-amine
SMILESCC/C=C/NCC(C)C
InChIInChI=1S/C8H17N/c1-4-5-6-9-7-8(2)3/h5-6,8-9H,4,7H2,1-3H3/b6-5+
InChIKeyKLHDZTMIDYWSPZ-AATRIKPKSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-Butanediamine, N-(3-methyl-1-butenyl)-
CID 6435688
(+)-2,3-Dihydro-3-methyl-1H-pyrrole
CID 22419314
4-Methyl-1,4-dihydropyridine
CID 11240431
4-Methyltetrahydropyridine
CID 21432697
3-Methyltetrahydropyridine
CID 22630110
4-Vinyl-pyrroline
CID 154585398
Isopropylvinylputrescin
CID 59296
1,4-Dihydro-2,5-diisopropylpyrazine
CID 129776437
1,2-Dimethylamino-3-methyl-1-butene
CID 129810630
(Z)-N-(1-fluoroethyl)-3-methylbut-1-en-1-amine
CID 142458863
N-[(E)-but-1-enyl]butan-1-amine
CID 11309515
2-methyl-N-[(E)-prop-1-enyl]propan-1-amine
CID 12345757

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylpropyl)but-1-en-1-amine?
The IUPAC name of (E)-N-(2-methylpropyl)but-1-en-1-amine (CID 11122565) is (E)-N-(2-methylpropyl)but-1-en-1-amine.
What is the SMILES notation for (E)-N-(2-methylpropyl)but-1-en-1-amine?
The canonical SMILES for (E)-N-(2-methylpropyl)but-1-en-1-amine is CC/C=C/NCC(C)C.
What is the InChIKey of (E)-N-(2-methylpropyl)but-1-en-1-amine?
The InChIKey is KLHDZTMIDYWSPZ-AATRIKPKSA-N. The full InChI is InChI=1S/C8H17N/c1-4-5-6-9-7-8(2)3/h5-6,8-9H,4,7H2,1-3H3/b6-5+.
What are the key properties of (E)-N-(2-methylpropyl)but-1-en-1-amine?
(E)-N-(2-methylpropyl)but-1-en-1-amine has a molecular weight of 127.23 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylpropyl)but-1-en-1-amine is sourced from PubChem (CID 11122565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).