(E)-N,N,2,3,3-pentamethylbut-1-en-1-amine

C9H19N — CID 87104234

IUPAC(E)-N,N,2,3,3-pentamethylbut-1-en-1-amine
SMILESC/C(=C\N(C)C)C(C)(C)C
InChIInChI=1S/C9H19N/c1-8(7-10(5)6)9(2,3)4/h7H,1-6H3/b8-7+
InChIKeyDHOXZRIZTSFPHM-BQYQJAHWSA-N
MW141.26 g/mol
LogP2.50
Rot. Bonds1

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

(E)-N,N,2,3,3-pentamethylbut-1-en-1-amine (PubChem CID 87104234) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (E)-N,N,2,3,3-pentamethylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,N,2,3,3-pentamethylbut-1-en-1-amine
PubChem CID87104234
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(E)-N,N,2,3,3-pentamethylbut-1-en-1-amine
SMILESC/C(=C\N(C)C)C(C)(C)C
InChIInChI=1S/C9H19N/c1-8(7-10(5)6)9(2,3)4/h7H,1-6H3/b8-7+
InChIKeyDHOXZRIZTSFPHM-BQYQJAHWSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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

2-ethyl-N,N-dimethylbut-1-en-1-amine
CID 101374933
(1Z)-2-tert-butyl-3-fluoro-N,N-dimethylbuta-1,3-dien-1-amine
CID 126549239
N,N,2,2,3-pentamethylbut-3-en-1-amine
CID 2780433
N,N,3,3-tetramethyl-2-methylidenebutan-1-amine
CID 59446201
N,N,2,3-tetramethylbut-1-en-1-amine
CID 91272568
2,4-Dimethylpenta-1,4-dienyl-ethyl-dimethylazanium
CID 91447037
N,N-diethyl-2-methylbut-1-en-1-amine
CID 123267023
N,N,4,4-tetramethylpent-1-en-1-amine
CID 123345895
Diethyl-methyl-(2-methylbut-1-enyl)azanium
CID 123350579
Butyl-dimethyl-(2-methylbut-1-enyl)azanium
CID 123553214
Ethenyl-ethyl-methyl-(2-methylbut-1-enyl)azanium
CID 123589192
N,N,2-Trimethyl-1-penten-1-amine
CID 123636868

Frequently Asked Questions

What is the IUPAC name of (E)-N,N,2,3,3-pentamethylbut-1-en-1-amine?
The IUPAC name of (E)-N,N,2,3,3-pentamethylbut-1-en-1-amine (CID 87104234) is (E)-N,N,2,3,3-pentamethylbut-1-en-1-amine.
What is the SMILES notation for (E)-N,N,2,3,3-pentamethylbut-1-en-1-amine?
The canonical SMILES for (E)-N,N,2,3,3-pentamethylbut-1-en-1-amine is C/C(=C\N(C)C)C(C)(C)C.
What is the InChIKey of (E)-N,N,2,3,3-pentamethylbut-1-en-1-amine?
The InChIKey is DHOXZRIZTSFPHM-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H19N/c1-8(7-10(5)6)9(2,3)4/h7H,1-6H3/b8-7+.
What are the key properties of (E)-N,N,2,3,3-pentamethylbut-1-en-1-amine?
(E)-N,N,2,3,3-pentamethylbut-1-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,2,3,3-pentamethylbut-1-en-1-amine is sourced from PubChem (CID 87104234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).