N-[(E)-but-1-enyl]-N,3-dimethylbutan-1-amine

C10H21N — CID 87580786

IUPACN-[(E)-but-1-enyl]-N,3-dimethylbutan-1-amine
SMILESCC/C=C/N(C)CCC(C)C
InChIInChI=1S/C10H21N/c1-5-6-8-11(4)9-7-10(2)3/h6,8,10H,5,7,9H2,1-4H3/b8-6+
InChIKeyKUNAEQCIDLNMCI-SOFGYWHQSA-N
MW155.28 g/mol
LogP2.89
Rot. Bonds5

About N-[(E)-but-1-enyl]-N,3-dimethylbutan-1-amine

N-[(E)-but-1-enyl]-N,3-dimethylbutan-1-amine (PubChem CID 87580786) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-[(E)-but-1-enyl]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(E)-but-1-enyl]-N,3-dimethylbutan-1-amine
PubChem CID87580786
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-[(E)-but-1-enyl]-N,3-dimethylbutan-1-amine
SMILESCC/C=C/N(C)CCC(C)C
InChIInChI=1S/C10H21N/c1-5-6-8-11(4)9-7-10(2)3/h6,8,10H,5,7,9H2,1-4H3/b8-6+
InChIKeyKUNAEQCIDLNMCI-SOFGYWHQSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-1-enyl]-N,3-dimethylbutan-1-amine?
The IUPAC name of N-[(E)-but-1-enyl]-N,3-dimethylbutan-1-amine (CID 87580786) is N-[(E)-but-1-enyl]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(E)-but-1-enyl]-N,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(E)-but-1-enyl]-N,3-dimethylbutan-1-amine is CC/C=C/N(C)CCC(C)C.
What is the InChIKey of N-[(E)-but-1-enyl]-N,3-dimethylbutan-1-amine?
The InChIKey is KUNAEQCIDLNMCI-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H21N/c1-5-6-8-11(4)9-7-10(2)3/h6,8,10H,5,7,9H2,1-4H3/b8-6+.
What are the key properties of N-[(E)-but-1-enyl]-N,3-dimethylbutan-1-amine?
N-[(E)-but-1-enyl]-N,3-dimethylbutan-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-1-enyl]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 87580786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).