(E)-N,2,3,3-tetramethyl-N-pent-1-en-2-ylbut-1-en-1-amine

C13H25N — CID 130272086

IUPAC(E)-N,2,3,3-tetramethyl-N-pent-1-en-2-ylbut-1-en-1-amine
SMILESC=C(CCC)N(C)/C=C(\C)C(C)(C)C
InChIInChI=1S/C13H25N/c1-8-9-12(3)14(7)10-11(2)13(4,5)6/h10H,3,8-9H2,1-2,4-7H3/b11-10+
InChIKeyHJIPHTVNTCRTKI-ZHACJKMWSA-N
MW195.35 g/mol
LogP4.18
Rot. Bonds4

About (E)-N,2,3,3-tetramethyl-N-pent-1-en-2-ylbut-1-en-1-amine

(E)-N,2,3,3-tetramethyl-N-pent-1-en-2-ylbut-1-en-1-amine (PubChem CID 130272086) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (E)-N,2,3,3-tetramethyl-N-pent-1-en-2-ylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,2,3,3-tetramethyl-N-pent-1-en-2-ylbut-1-en-1-amine
PubChem CID130272086
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(E)-N,2,3,3-tetramethyl-N-pent-1-en-2-ylbut-1-en-1-amine
SMILESC=C(CCC)N(C)/C=C(\C)C(C)(C)C
InChIInChI=1S/C13H25N/c1-8-9-12(3)14(7)10-11(2)13(4,5)6/h10H,3,8-9H2,1-2,4-7H3/b11-10+
InChIKeyHJIPHTVNTCRTKI-ZHACJKMWSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N,2,3,3-tetramethyl-N-pent-1-en-2-ylbut-1-en-1-amine?
The IUPAC name of (E)-N,2,3,3-tetramethyl-N-pent-1-en-2-ylbut-1-en-1-amine (CID 130272086) is (E)-N,2,3,3-tetramethyl-N-pent-1-en-2-ylbut-1-en-1-amine.
What is the SMILES notation for (E)-N,2,3,3-tetramethyl-N-pent-1-en-2-ylbut-1-en-1-amine?
The canonical SMILES for (E)-N,2,3,3-tetramethyl-N-pent-1-en-2-ylbut-1-en-1-amine is C=C(CCC)N(C)/C=C(\C)C(C)(C)C.
What is the InChIKey of (E)-N,2,3,3-tetramethyl-N-pent-1-en-2-ylbut-1-en-1-amine?
The InChIKey is HJIPHTVNTCRTKI-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H25N/c1-8-9-12(3)14(7)10-11(2)13(4,5)6/h10H,3,8-9H2,1-2,4-7H3/b11-10+.
What are the key properties of (E)-N,2,3,3-tetramethyl-N-pent-1-en-2-ylbut-1-en-1-amine?
(E)-N,2,3,3-tetramethyl-N-pent-1-en-2-ylbut-1-en-1-amine has a molecular weight of 195.35 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2,3,3-tetramethyl-N-pent-1-en-2-ylbut-1-en-1-amine is sourced from PubChem (CID 130272086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).