N,N-diethyl-3-iminobutan-2-amine

C8H18N2 — CID 123384207

IUPACN,N-diethyl-3-iminobutan-2-amine
SMILES[H]/N=C(\C)C(C)N(CC)CC
InChIInChI=1S/C8H18N2/c1-5-10(6-2)8(4)7(3)9/h8-9H,5-6H2,1-4H3/b9-7+
InChIKeyOMQOIZGXJANFDR-VQHVLOKHSA-N
MW142.25 g/mol
LogP1.76
Rot. Bonds4

About N,N-diethyl-3-iminobutan-2-amine

N,N-diethyl-3-iminobutan-2-amine (PubChem CID 123384207) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N,N-diethyl-3-iminobutan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-3-iminobutan-2-amine
PubChem CID123384207
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN,N-diethyl-3-iminobutan-2-amine
SMILES[H]/N=C(\C)C(C)N(CC)CC
InChIInChI=1S/C8H18N2/c1-5-10(6-2)8(4)7(3)9/h8-9H,5-6H2,1-4H3/b9-7+
InChIKeyOMQOIZGXJANFDR-VQHVLOKHSA-N
XLogP1.76
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
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 N,N-diethyl-3-iminobutan-2-amine?
The IUPAC name of N,N-diethyl-3-iminobutan-2-amine (CID 123384207) is N,N-diethyl-3-iminobutan-2-amine.
What is the SMILES notation for N,N-diethyl-3-iminobutan-2-amine?
The canonical SMILES for N,N-diethyl-3-iminobutan-2-amine is [H]/N=C(\C)C(C)N(CC)CC.
What is the InChIKey of N,N-diethyl-3-iminobutan-2-amine?
The InChIKey is OMQOIZGXJANFDR-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H18N2/c1-5-10(6-2)8(4)7(3)9/h8-9H,5-6H2,1-4H3/b9-7+.
What are the key properties of N,N-diethyl-3-iminobutan-2-amine?
N,N-diethyl-3-iminobutan-2-amine has a molecular weight of 142.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-iminobutan-2-amine is sourced from PubChem (CID 123384207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).