(Z)-but-2-ene;ethane;(E)-N-methylpent-3-en-2-amine

C12H27N — CID 142924416

IUPAC(Z)-but-2-ene;ethane;(E)-N-methylpent-3-en-2-amine
SMILESC/C=C/C(C)NC.C/C=C\C.CC
InChIInChI=1S/C6H13N.C4H8.C2H6/c1-4-5-6(2)7-3;1-3-4-2;1-2/h4-7H,1-3H3;3-4H,1-2H3;1-2H3/b5-4+;4-3-;
InChIKeyPSPROGHZGHIPBR-NWBJJHEDSA-N
MW185.35 g/mol
LogP3.78
Rot. Bonds2

About (Z)-but-2-ene;ethane;(E)-N-methylpent-3-en-2-amine

(Z)-but-2-ene;ethane;(E)-N-methylpent-3-en-2-amine (PubChem CID 142924416) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is (Z)-but-2-ene;ethane;(E)-N-methylpent-3-en-2-amine.

Molecular Properties

Compound Name(Z)-but-2-ene;ethane;(E)-N-methylpent-3-en-2-amine
PubChem CID142924416
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name(Z)-but-2-ene;ethane;(E)-N-methylpent-3-en-2-amine
SMILESC/C=C/C(C)NC.C/C=C\C.CC
InChIInChI=1S/C6H13N.C4H8.C2H6/c1-4-5-6(2)7-3;1-3-4-2;1-2/h4-7H,1-3H3;3-4H,1-2H3;1-2H3/b5-4+;4-3-;
InChIKeyPSPROGHZGHIPBR-NWBJJHEDSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;ethane;(E)-N-methylpent-3-en-2-amine?
The IUPAC name of (Z)-but-2-ene;ethane;(E)-N-methylpent-3-en-2-amine (CID 142924416) is (Z)-but-2-ene;ethane;(E)-N-methylpent-3-en-2-amine.
What is the SMILES notation for (Z)-but-2-ene;ethane;(E)-N-methylpent-3-en-2-amine?
The canonical SMILES for (Z)-but-2-ene;ethane;(E)-N-methylpent-3-en-2-amine is C/C=C/C(C)NC.C/C=C\C.CC.
What is the InChIKey of (Z)-but-2-ene;ethane;(E)-N-methylpent-3-en-2-amine?
The InChIKey is PSPROGHZGHIPBR-NWBJJHEDSA-N. The full InChI is InChI=1S/C6H13N.C4H8.C2H6/c1-4-5-6(2)7-3;1-3-4-2;1-2/h4-7H,1-3H3;3-4H,1-2H3;1-2H3/b5-4+;4-3-;.
What are the key properties of (Z)-but-2-ene;ethane;(E)-N-methylpent-3-en-2-amine?
(Z)-but-2-ene;ethane;(E)-N-methylpent-3-en-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;ethane;(E)-N-methylpent-3-en-2-amine is sourced from PubChem (CID 142924416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).