1-(ethylideneamino)-N,N-dimethylpentan-2-amine

C9H20N2 — CID 91539104

IUPAC1-(ethylideneamino)-N,N-dimethylpentan-2-amine
SMILESC/C=N/CC(CCC)N(C)C
InChIInChI=1S/C9H20N2/c1-5-7-9(11(3)4)8-10-6-2/h6,9H,5,7-8H2,1-4H3/b10-6+
InChIKeyVXEWCDKCOBYXAY-UXBLZVDNSA-N
MW156.27 g/mol
LogP1.81
Rot. Bonds5

About 1-(ethylideneamino)-N,N-dimethylpentan-2-amine

1-(ethylideneamino)-N,N-dimethylpentan-2-amine (PubChem CID 91539104) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-(ethylideneamino)-N,N-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(ethylideneamino)-N,N-dimethylpentan-2-amine
PubChem CID91539104
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-(ethylideneamino)-N,N-dimethylpentan-2-amine
SMILESC/C=N/CC(CCC)N(C)C
InChIInChI=1S/C9H20N2/c1-5-7-9(11(3)4)8-10-6-2/h6,9H,5,7-8H2,1-4H3/b10-6+
InChIKeyVXEWCDKCOBYXAY-UXBLZVDNSA-N
XLogP1.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.81
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 1-(ethylideneamino)-N,N-dimethylpentan-2-amine?
The IUPAC name of 1-(ethylideneamino)-N,N-dimethylpentan-2-amine (CID 91539104) is 1-(ethylideneamino)-N,N-dimethylpentan-2-amine.
What is the SMILES notation for 1-(ethylideneamino)-N,N-dimethylpentan-2-amine?
The canonical SMILES for 1-(ethylideneamino)-N,N-dimethylpentan-2-amine is C/C=N/CC(CCC)N(C)C.
What is the InChIKey of 1-(ethylideneamino)-N,N-dimethylpentan-2-amine?
The InChIKey is VXEWCDKCOBYXAY-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-7-9(11(3)4)8-10-6-2/h6,9H,5,7-8H2,1-4H3/b10-6+.
What are the key properties of 1-(ethylideneamino)-N,N-dimethylpentan-2-amine?
1-(ethylideneamino)-N,N-dimethylpentan-2-amine has a molecular weight of 156.27 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylideneamino)-N,N-dimethylpentan-2-amine is sourced from PubChem (CID 91539104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).