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

C16H32N2 — CID 79067252

IUPAC3-N,3-N,4-N,3-tetraethyloct-7-yne-3,4-diamine
SMILESC#CCCC(NCC)C(CC)(CC)N(CC)CC
InChIInChI=1S/C16H32N2/c1-7-13-14-15(17-10-4)16(8-2,9-3)18(11-5)12-6/h1,15,17H,8-14H2,2-6H3
InChIKeySDVCVVLSMXIWBV-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds10

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

3-N,3-N,4-N,3-tetraethyloct-7-yne-3,4-diamine (PubChem CID 79067252) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3-N,3-N,4-N,3-tetraethyloct-7-yne-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N,4-N,3-tetraethyloct-7-yne-3,4-diamine
PubChem CID79067252
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3-N,3-N,4-N,3-tetraethyloct-7-yne-3,4-diamine
SMILESC#CCCC(NCC)C(CC)(CC)N(CC)CC
InChIInChI=1S/C16H32N2/c1-7-13-14-15(17-10-4)16(8-2,9-3)18(11-5)12-6/h1,15,17H,8-14H2,2-6H3
InChIKeySDVCVVLSMXIWBV-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine
CID 79061768
3-N,3-N,4-N,3-tetraethyl-6-methylnonane-3,4-diamine
CID 79068123
3-N,3-N,3-triethyl-4-N-propylheptane-3,4-diamine
CID 79067168
3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine
CID 79067335
4-N,4-N,4-triethyl-3-N-propylhex-1-yne-3,4-diamine
CID 79067883
4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-diamine
CID 79062661
2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
CID 79825166
3-N,3-N,3-triethyl-4-N-methylnon-8-ene-3,4-diamine
CID 79068358
1-tert-butylsulfanyl-N-ethylhex-5-yn-2-amine
CID 65133064
3-N,3-N,4-N-triethyl-7,7,7-trifluoro-3-methylheptane-3,4-diamine
CID 79068528
(3-ethoxy-3-ethyloct-7-yn-4-yl)hydrazine
CID 105275085
N-ethylhexadec-1-yn-5-amine
CID 115859541

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-N,3-tetraethyloct-7-yne-3,4-diamine?
The IUPAC name of 3-N,3-N,4-N,3-tetraethyloct-7-yne-3,4-diamine (CID 79067252) is 3-N,3-N,4-N,3-tetraethyloct-7-yne-3,4-diamine.
What is the SMILES notation for 3-N,3-N,4-N,3-tetraethyloct-7-yne-3,4-diamine?
The canonical SMILES for 3-N,3-N,4-N,3-tetraethyloct-7-yne-3,4-diamine is C#CCCC(NCC)C(CC)(CC)N(CC)CC.
What is the InChIKey of 3-N,3-N,4-N,3-tetraethyloct-7-yne-3,4-diamine?
The InChIKey is SDVCVVLSMXIWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-7-13-14-15(17-10-4)16(8-2,9-3)18(11-5)12-6/h1,15,17H,8-14H2,2-6H3.
What are the key properties of 3-N,3-N,4-N,3-tetraethyloct-7-yne-3,4-diamine?
3-N,3-N,4-N,3-tetraethyloct-7-yne-3,4-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-N,3-tetraethyloct-7-yne-3,4-diamine is sourced from PubChem (CID 79067252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).