(Z)-N,N-dimethyl-5-methyliminohept-3-en-3-amine

C10H20N2 — CID 167212068

IUPAC(Z)-N,N-dimethyl-5-methyliminohept-3-en-3-amine
SMILESCC/C(=C/C(CC)=N/C)N(C)C
InChIInChI=1S/C10H20N2/c1-6-9(11-3)8-10(7-2)12(4)5/h8H,6-7H2,1-5H3/b10-8-,11-9+
InChIKeyBNBBYUOPJXCOPZ-PNQPDEHRSA-N
MW168.28 g/mol
LogP2.32
Rot. Bonds4

About (Z)-N,N-dimethyl-5-methyliminohept-3-en-3-amine

(Z)-N,N-dimethyl-5-methyliminohept-3-en-3-amine (PubChem CID 167212068) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (Z)-N,N-dimethyl-5-methyliminohept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N,N-dimethyl-5-methyliminohept-3-en-3-amine
PubChem CID167212068
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(Z)-N,N-dimethyl-5-methyliminohept-3-en-3-amine
SMILESCC/C(=C/C(CC)=N/C)N(C)C
InChIInChI=1S/C10H20N2/c1-6-9(11-3)8-10(7-2)12(4)5/h8H,6-7H2,1-5H3/b10-8-,11-9+
InChIKeyBNBBYUOPJXCOPZ-PNQPDEHRSA-N
XLogP2.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.32
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 (Z)-N,N-dimethyl-5-methyliminohept-3-en-3-amine?
The IUPAC name of (Z)-N,N-dimethyl-5-methyliminohept-3-en-3-amine (CID 167212068) is (Z)-N,N-dimethyl-5-methyliminohept-3-en-3-amine.
What is the SMILES notation for (Z)-N,N-dimethyl-5-methyliminohept-3-en-3-amine?
The canonical SMILES for (Z)-N,N-dimethyl-5-methyliminohept-3-en-3-amine is CC/C(=C/C(CC)=N/C)N(C)C.
What is the InChIKey of (Z)-N,N-dimethyl-5-methyliminohept-3-en-3-amine?
The InChIKey is BNBBYUOPJXCOPZ-PNQPDEHRSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-9(11-3)8-10(7-2)12(4)5/h8H,6-7H2,1-5H3/b10-8-,11-9+.
What are the key properties of (Z)-N,N-dimethyl-5-methyliminohept-3-en-3-amine?
(Z)-N,N-dimethyl-5-methyliminohept-3-en-3-amine has a molecular weight of 168.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyl-5-methyliminohept-3-en-3-amine is sourced from PubChem (CID 167212068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).