(E)-N,N-dimethyl-1-(propan-2-ylideneamino)hex-1-en-2-amine

C11H22N2 — CID 155480496

IUPAC(E)-N,N-dimethyl-1-(propan-2-ylideneamino)hex-1-en-2-amine
SMILESCCCC/C(=C\N=C(C)C)N(C)C
InChIInChI=1S/C11H22N2/c1-6-7-8-11(13(4)5)9-12-10(2)3/h9H,6-8H2,1-5H3/b11-9+
InChIKeyITXYEZDKINOEHV-PKNBQFBNSA-N
MW182.31 g/mol
LogP3.06
Rot. Bonds5

About (E)-N,N-dimethyl-1-(propan-2-ylideneamino)hex-1-en-2-amine

(E)-N,N-dimethyl-1-(propan-2-ylideneamino)hex-1-en-2-amine (PubChem CID 155480496) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (E)-N,N-dimethyl-1-(propan-2-ylideneamino)hex-1-en-2-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-1-(propan-2-ylideneamino)hex-1-en-2-amine
PubChem CID155480496
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(E)-N,N-dimethyl-1-(propan-2-ylideneamino)hex-1-en-2-amine
SMILESCCCC/C(=C\N=C(C)C)N(C)C
InChIInChI=1S/C11H22N2/c1-6-7-8-11(13(4)5)9-12-10(2)3/h9H,6-8H2,1-5H3/b11-9+
InChIKeyITXYEZDKINOEHV-PKNBQFBNSA-N
XLogP3.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-1-(propan-2-ylideneamino)hex-1-en-2-amine?
The IUPAC name of (E)-N,N-dimethyl-1-(propan-2-ylideneamino)hex-1-en-2-amine (CID 155480496) is (E)-N,N-dimethyl-1-(propan-2-ylideneamino)hex-1-en-2-amine.
What is the SMILES notation for (E)-N,N-dimethyl-1-(propan-2-ylideneamino)hex-1-en-2-amine?
The canonical SMILES for (E)-N,N-dimethyl-1-(propan-2-ylideneamino)hex-1-en-2-amine is CCCC/C(=C\N=C(C)C)N(C)C.
What is the InChIKey of (E)-N,N-dimethyl-1-(propan-2-ylideneamino)hex-1-en-2-amine?
The InChIKey is ITXYEZDKINOEHV-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-7-8-11(13(4)5)9-12-10(2)3/h9H,6-8H2,1-5H3/b11-9+.
What are the key properties of (E)-N,N-dimethyl-1-(propan-2-ylideneamino)hex-1-en-2-amine?
(E)-N,N-dimethyl-1-(propan-2-ylideneamino)hex-1-en-2-amine has a molecular weight of 182.31 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-1-(propan-2-ylideneamino)hex-1-en-2-amine is sourced from PubChem (CID 155480496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).