3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine

C15H30N2 — CID 79061768

IUPAC3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine
SMILESC#CCCC(NCCC)C(CC)(CC)N(C)C
InChIInChI=1S/C15H30N2/c1-7-11-12-14(16-13-8-2)15(9-3,10-4)17(5)6/h1,14,16H,8-13H2,2-6H3
InChIKeyKVYBEPFJADKMCM-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds9

About 3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine

3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine (PubChem CID 79061768) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine.

Molecular Properties

Compound Name3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine
PubChem CID79061768
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine
SMILESC#CCCC(NCCC)C(CC)(CC)N(C)C
InChIInChI=1S/C15H30N2/c1-7-11-12-14(16-13-8-2)15(9-3,10-4)17(5)6/h1,14,16H,8-13H2,2-6H3
InChIKeyKVYBEPFJADKMCM-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

3-ethyl-3-N,3-N-dimethyl-4-N-propyloctane-3,4-diamine
CID 79061055
3-N,3-N,4-N,3-tetraethyloct-7-yne-3,4-diamine
CID 79067252
3-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine
CID 79061629
3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine
CID 63644186
4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine
CID 79059352
3-ethyl-3-N,3-N,6-trimethyl-4-N-propylhept-6-ene-3,4-diamine
CID 79186670
3-ethyl-3-N,3-N-dimethyl-6-methylidene-4-N-propyloctane-3,4-diamine
CID 79062183
3-N,3-N,3-triethyl-4-N-propylheptane-3,4-diamine
CID 79067168
1,1,1-trifluoro-N-propylhept-6-yn-2-amine
CID 105033987
2,2-dimethyl-N-propyloct-7-yn-4-amine
CID 63890246
3-ethyl-3-N,3-N,4-N-trimethylheptane-3,4-diamine
CID 79062384
4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-diamine
CID 79062661

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine?
The IUPAC name of 3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine (CID 79061768) is 3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine.
What is the SMILES notation for 3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine?
The canonical SMILES for 3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine is C#CCCC(NCCC)C(CC)(CC)N(C)C.
What is the InChIKey of 3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine?
The InChIKey is KVYBEPFJADKMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-7-11-12-14(16-13-8-2)15(9-3,10-4)17(5)6/h1,14,16H,8-13H2,2-6H3.
What are the key properties of 3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine?
3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine has a molecular weight of 238.42 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine is sourced from PubChem (CID 79061768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).