N-ethyl-N,4-dimethylhept-1-en-4-amine

C11H23N — CID 123328560

IUPACN-ethyl-N,4-dimethylhept-1-en-4-amine
SMILESC=CCC(C)(CCC)N(C)CC
InChIInChI=1S/C11H23N/c1-6-9-11(4,10-7-2)12(5)8-3/h6H,1,7-10H2,2-5H3
InChIKeyXXKBKKYAULCHEH-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.07
Rot. Bonds6

About N-ethyl-N,4-dimethylhept-1-en-4-amine

N-ethyl-N,4-dimethylhept-1-en-4-amine (PubChem CID 123328560) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-ethyl-N,4-dimethylhept-1-en-4-amine.

Molecular Properties

Compound NameN-ethyl-N,4-dimethylhept-1-en-4-amine
PubChem CID123328560
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-ethyl-N,4-dimethylhept-1-en-4-amine
SMILESC=CCC(C)(CCC)N(C)CC
InChIInChI=1S/C11H23N/c1-6-9-11(4,10-7-2)12(5)8-3/h6H,1,7-10H2,2-5H3
InChIKeyXXKBKKYAULCHEH-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Trimethyl(2-prop-2-enylpent-4-enyl)azanium
CID 11715401
N,N-diethyl-2-methylhept-6-en-1-amine
CID 17824958
1-(2-Fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine
CID 166974420
5-ethyl-N,N-dimethylundec-1-en-6-yn-5-amine
CID 101438804
N-but-3-en-2-yl-N-methyl-1-prop-2-enylcyclopentan-1-amine
CID 134854641
N,N-diethyl-4-methylhept-6-en-1-amine
CID 170848093
N,N-diethyl-5-methyloct-7-en-1-amine
CID 170848094
N,N,3-triethyl-2-methylpent-4-en-1-amine
CID 170848096
N,N,5-triethylhept-6-en-1-amine
CID 170848097
N,N,5-triethyl-4-methylhept-6-en-1-amine
CID 170848099
N,N-diethyl-5-methylhept-6-en-1-amine
CID 170848101
5-ethyl-N,N-bis(prop-2-enyl)hept-1-en-4-amine
CID 102007823

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,4-dimethylhept-1-en-4-amine?
The IUPAC name of N-ethyl-N,4-dimethylhept-1-en-4-amine (CID 123328560) is N-ethyl-N,4-dimethylhept-1-en-4-amine.
What is the SMILES notation for N-ethyl-N,4-dimethylhept-1-en-4-amine?
The canonical SMILES for N-ethyl-N,4-dimethylhept-1-en-4-amine is C=CCC(C)(CCC)N(C)CC.
What is the InChIKey of N-ethyl-N,4-dimethylhept-1-en-4-amine?
The InChIKey is XXKBKKYAULCHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-6-9-11(4,10-7-2)12(5)8-3/h6H,1,7-10H2,2-5H3.
What are the key properties of N-ethyl-N,4-dimethylhept-1-en-4-amine?
N-ethyl-N,4-dimethylhept-1-en-4-amine has a molecular weight of 169.31 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,4-dimethylhept-1-en-4-amine is sourced from PubChem (CID 123328560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).