(E)-2-ethyl-N,3,3-trimethylbut-1-en-1-amine

C9H19N — CID 130271953

IUPAC(E)-2-ethyl-N,3,3-trimethylbut-1-en-1-amine
SMILESCC/C(=C\NC)C(C)(C)C
InChIInChI=1S/C9H19N/c1-6-8(7-10-5)9(2,3)4/h7,10H,6H2,1-5H3/b8-7+
InChIKeyQRAWPVCMYMTXEI-BQYQJAHWSA-N
MW141.26 g/mol
LogP2.55
Rot. Bonds2

About (E)-2-ethyl-N,3,3-trimethylbut-1-en-1-amine

(E)-2-ethyl-N,3,3-trimethylbut-1-en-1-amine (PubChem CID 130271953) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (E)-2-ethyl-N,3,3-trimethylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethyl-N,3,3-trimethylbut-1-en-1-amine
PubChem CID130271953
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(E)-2-ethyl-N,3,3-trimethylbut-1-en-1-amine
SMILESCC/C(=C\NC)C(C)(C)C
InChIInChI=1S/C9H19N/c1-6-8(7-10-5)9(2,3)4/h7,10H,6H2,1-5H3/b8-7+
InChIKeyQRAWPVCMYMTXEI-BQYQJAHWSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-ethyl-4,4-dimethylpent-2-ene
CID 5369078
(E)-2-tert-butyl-N-methylpent-1-en-4-yn-1-amine
CID 130178755
3-ethyl-2,2-dimethylhept-3-ene
CID 54053277
(E)-2-bromo-N-methylbut-1-en-1-amine
CID 139541532
ethyl 3-ethyl-4,4-dimethylpent-2-enoate
CID 71421624
(1E)-2-tert-butyl-3-ethyl-N-methylpenta-1,4-dien-1-amine
CID 134338397
(E)-2-N-ethyl-1-N-methylbut-1-ene-1,2-diamine
CID 130458461
(Z)-2-hydrazinyl-N,3,3-trimethylbut-1-en-1-amine
CID 145076612
(1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine
CID 129132612
(E)-2-ethyl-3,3-difluorobut-1-en-1-amine
CID 167141623
(Z)-2-tert-butyl-N,4-dimethylpent-2-en-1-amine
CID 154952879
2-aminobutan-2-ol;N-methylmethanamine
CID 174452553

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-N,3,3-trimethylbut-1-en-1-amine?
The IUPAC name of (E)-2-ethyl-N,3,3-trimethylbut-1-en-1-amine (CID 130271953) is (E)-2-ethyl-N,3,3-trimethylbut-1-en-1-amine.
What is the SMILES notation for (E)-2-ethyl-N,3,3-trimethylbut-1-en-1-amine?
The canonical SMILES for (E)-2-ethyl-N,3,3-trimethylbut-1-en-1-amine is CC/C(=C\NC)C(C)(C)C.
What is the InChIKey of (E)-2-ethyl-N,3,3-trimethylbut-1-en-1-amine?
The InChIKey is QRAWPVCMYMTXEI-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H19N/c1-6-8(7-10-5)9(2,3)4/h7,10H,6H2,1-5H3/b8-7+.
What are the key properties of (E)-2-ethyl-N,3,3-trimethylbut-1-en-1-amine?
(E)-2-ethyl-N,3,3-trimethylbut-1-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-N,3,3-trimethylbut-1-en-1-amine is sourced from PubChem (CID 130271953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).