3-N,3-N,3-triethylnon-7-yne-3,4-diamine

C15H30N2 — CID 104806472

IUPAC3-N,3-N,3-triethylnon-7-yne-3,4-diamine
SMILESCC#CCCC(N)C(CC)(CC)N(CC)CC
InChIInChI=1S/C15H30N2/c1-6-11-12-13-14(16)15(7-2,8-3)17(9-4)10-5/h14H,7-10,12-13,16H2,1-5H3
InChIKeyFZTMAIDCIKIMLC-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.02
Rot. Bonds8

About 3-N,3-N,3-triethylnon-7-yne-3,4-diamine

3-N,3-N,3-triethylnon-7-yne-3,4-diamine (PubChem CID 104806472) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-N,3-N,3-triethylnon-7-yne-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N,3-triethylnon-7-yne-3,4-diamine
PubChem CID104806472
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-N,3-N,3-triethylnon-7-yne-3,4-diamine
SMILESCC#CCCC(N)C(CC)(CC)N(CC)CC
InChIInChI=1S/C15H30N2/c1-6-11-12-13-14(16)15(7-2,8-3)17(9-4)10-5/h14H,7-10,12-13,16H2,1-5H3
InChIKeyFZTMAIDCIKIMLC-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N,3-N,3-triethyloctane-3,4-diamine
CID 79061661
3-N,3-N,3-triethyl-7-methoxy-7-methyloctane-3,4-diamine
CID 103035847
4-N,4-N,4-triethylhex-1-ene-3,4-diamine
CID 79061790
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 79059856
non-7-yn-3-amine
CID 64503451
3,3-dimethyloct-6-yn-4-amine
CID 115819865
1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 79062445
3-N,3-N-diethyl-3-methylhept-6-yne-3,4-diamine
CID 79068904
(3-methoxy-3-methylnon-7-yn-4-yl)hydrazine
CID 105274497
3-N,3-N,4-N,3-tetraethyloct-7-yne-3,4-diamine
CID 79067252
(2R)-2-aminohept-5-ynamide
CID 55284059
3-N,3-N,3-triethyl-1-(3-methylphenyl)pentane-2,3-diamine
CID 79067400

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,3-triethylnon-7-yne-3,4-diamine?
The IUPAC name of 3-N,3-N,3-triethylnon-7-yne-3,4-diamine (CID 104806472) is 3-N,3-N,3-triethylnon-7-yne-3,4-diamine.
What is the SMILES notation for 3-N,3-N,3-triethylnon-7-yne-3,4-diamine?
The canonical SMILES for 3-N,3-N,3-triethylnon-7-yne-3,4-diamine is CC#CCCC(N)C(CC)(CC)N(CC)CC.
What is the InChIKey of 3-N,3-N,3-triethylnon-7-yne-3,4-diamine?
The InChIKey is FZTMAIDCIKIMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-11-12-13-14(16)15(7-2,8-3)17(9-4)10-5/h14H,7-10,12-13,16H2,1-5H3.
What are the key properties of 3-N,3-N,3-triethylnon-7-yne-3,4-diamine?
3-N,3-N,3-triethylnon-7-yne-3,4-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,3-triethylnon-7-yne-3,4-diamine is sourced from PubChem (CID 104806472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).