N-(ethylideneamino)-N,3-dimethylhex-3-en-2-amine

C10H20N2 — CID 123740794

IUPACN-(ethylideneamino)-N,3-dimethylhex-3-en-2-amine
SMILESCC=NN(C)C(C)C(C)=CCC
InChIInChI=1S/C10H20N2/c1-6-8-9(3)10(4)12(5)11-7-2/h7-8,10H,6H2,1-5H3
InChIKeyZNAGDXNTRSBBRG-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.67
Rot. Bonds4

About N-(ethylideneamino)-N,3-dimethylhex-3-en-2-amine

N-(ethylideneamino)-N,3-dimethylhex-3-en-2-amine (PubChem CID 123740794) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-(ethylideneamino)-N,3-dimethylhex-3-en-2-amine.

Molecular Properties

Compound NameN-(ethylideneamino)-N,3-dimethylhex-3-en-2-amine
PubChem CID123740794
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-(ethylideneamino)-N,3-dimethylhex-3-en-2-amine
SMILESCC=NN(C)C(C)C(C)=CCC
InChIInChI=1S/C10H20N2/c1-6-8-9(3)10(4)12(5)11-7-2/h7-8,10H,6H2,1-5H3
InChIKeyZNAGDXNTRSBBRG-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(ethylideneamino)-N,3-dimethylhex-3-en-2-amine?
The IUPAC name of N-(ethylideneamino)-N,3-dimethylhex-3-en-2-amine (CID 123740794) is N-(ethylideneamino)-N,3-dimethylhex-3-en-2-amine.
What is the SMILES notation for N-(ethylideneamino)-N,3-dimethylhex-3-en-2-amine?
The canonical SMILES for N-(ethylideneamino)-N,3-dimethylhex-3-en-2-amine is CC=NN(C)C(C)C(C)=CCC.
What is the InChIKey of N-(ethylideneamino)-N,3-dimethylhex-3-en-2-amine?
The InChIKey is ZNAGDXNTRSBBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-8-9(3)10(4)12(5)11-7-2/h7-8,10H,6H2,1-5H3.
What are the key properties of N-(ethylideneamino)-N,3-dimethylhex-3-en-2-amine?
N-(ethylideneamino)-N,3-dimethylhex-3-en-2-amine has a molecular weight of 168.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylideneamino)-N,3-dimethylhex-3-en-2-amine is sourced from PubChem (CID 123740794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).