2-N,2-N-dimethyl-1-N-octylbutane-1,2-diamine;ethane;propane

C24H60N2 — CID 155599553

IUPAC2-N,2-N-dimethyl-1-N-octylbutane-1,2-diamine;ethane;propane
SMILESCC.CC.CCC.CCC.CCCCCCCCNCC(CC)N(C)C
InChIInChI=1S/C14H32N2.2C3H8.2C2H6/c1-5-7-8-9-10-11-12-15-13-14(6-2)16(3)4;2*1-3-2;2*1-2/h14-15H,5-13H2,1-4H3;2*3H2,1-2H3;2*1-2H3
InChIKeyQNONYCWOOYDNGH-UHFFFAOYSA-N
MW376.76 g/mol
LogP8.16
Rot. Bonds11

About 2-N,2-N-dimethyl-1-N-octylbutane-1,2-diamine;ethane;propane

2-N,2-N-dimethyl-1-N-octylbutane-1,2-diamine;ethane;propane (PubChem CID 155599553) has the molecular formula C24H60N2 and a molecular weight of 376.76 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-octylbutane-1,2-diamine;ethane;propane.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-octylbutane-1,2-diamine;ethane;propane
PubChem CID155599553
Molecular FormulaC24H60N2
Molecular Weight376.76 g/mol
Exact Mass376.48
IUPAC Name2-N,2-N-dimethyl-1-N-octylbutane-1,2-diamine;ethane;propane
SMILESCC.CC.CCC.CCC.CCCCCCCCNCC(CC)N(C)C
InChIInChI=1S/C14H32N2.2C3H8.2C2H6/c1-5-7-8-9-10-11-12-15-13-14(6-2)16(3)4;2*1-3-2;2*1-2/h14-15H,5-13H2,1-4H3;2*3H2,1-2H3;2*1-2H3
InChIKeyQNONYCWOOYDNGH-UHFFFAOYSA-N
XLogP8.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.76
LogP ≤ 58.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-N-heptyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43130327
N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine
CID 102905484
1-(octadecylamino)butan-2-ol
CID 174541083
2-(hexadecylamino)ethane-1,1-diol
CID 87604065
2-(pentacosylamino)ethane-1,1-diol
CID 87068456
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405465
(2S)-1-(hexadecylamino)propan-2-ol
CID 96570879

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-octylbutane-1,2-diamine;ethane;propane?
The IUPAC name of 2-N,2-N-dimethyl-1-N-octylbutane-1,2-diamine;ethane;propane (CID 155599553) is 2-N,2-N-dimethyl-1-N-octylbutane-1,2-diamine;ethane;propane.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-octylbutane-1,2-diamine;ethane;propane?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-octylbutane-1,2-diamine;ethane;propane is CC.CC.CCC.CCC.CCCCCCCCNCC(CC)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-octylbutane-1,2-diamine;ethane;propane?
The InChIKey is QNONYCWOOYDNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2.2C3H8.2C2H6/c1-5-7-8-9-10-11-12-15-13-14(6-2)16(3)4;2*1-3-2;2*1-2/h14-15H,5-13H2,1-4H3;2*3H2,1-2H3;2*1-2H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-octylbutane-1,2-diamine;ethane;propane?
2-N,2-N-dimethyl-1-N-octylbutane-1,2-diamine;ethane;propane has a molecular weight of 376.76 g/mol, XLogP of 8.16, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-octylbutane-1,2-diamine;ethane;propane is sourced from PubChem (CID 155599553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).