ethane;3-N-(2-ethylpentyl)butane-1,3-diamine

C15H38N2 — CID 143412122

IUPACethane;3-N-(2-ethylpentyl)butane-1,3-diamine
SMILESCC.CC.CCCC(CC)CNC(C)CCN
InChIInChI=1S/C11H26N2.2C2H6/c1-4-6-11(5-2)9-13-10(3)7-8-12;2*1-2/h10-11,13H,4-9,12H2,1-3H3;2*1-2H3
InChIKeyPRBWGPHFNXQYLI-UHFFFAOYSA-N
MW246.48 g/mol
LogP4.19
Rot. Bonds8

About ethane;3-N-(2-ethylpentyl)butane-1,3-diamine

ethane;3-N-(2-ethylpentyl)butane-1,3-diamine (PubChem CID 143412122) has the molecular formula C15H38N2 and a molecular weight of 246.48 g/mol. Its IUPAC name is ethane;3-N-(2-ethylpentyl)butane-1,3-diamine.

Molecular Properties

Compound Nameethane;3-N-(2-ethylpentyl)butane-1,3-diamine
PubChem CID143412122
Molecular FormulaC15H38N2
Molecular Weight246.48 g/mol
Exact Mass246.30
IUPAC Nameethane;3-N-(2-ethylpentyl)butane-1,3-diamine
SMILESCC.CC.CCCC(CC)CNC(C)CCN
InChIInChI=1S/C11H26N2.2C2H6/c1-4-6-11(5-2)9-13-10(3)7-8-12;2*1-2/h10-11,13H,4-9,12H2,1-3H3;2*1-2H3
InChIKeyPRBWGPHFNXQYLI-UHFFFAOYSA-N
XLogP4.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2-ethylpentyl)butane-1,3-diamine
CID 143412123
2-N-(2-ethylhexyl)propane-1,2-diamine
CID 57275977
N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 65232689
4-ethylheptane;methane
CID 143165373
2-ethyl-N-methylpentan-1-amine;propane
CID 143462607
1-N-hexan-2-ylpropane-1,2-diamine
CID 62201000
N-(2-chlorobutyl)pentan-2-amine
CID 107887575
3-methyl-1-N-pentan-2-ylbutane-1,2-diamine
CID 107886793
3,6-diethylnonan-2-amine
CID 123222168
6-amino-4-ethyl-N-(2-hydroxypentyl)hexanamide
CID 113495822
3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 103921662
3-ethyl-N-(3-ethylhexyl)hexan-1-amine
CID 19083272

Frequently Asked Questions

What is the IUPAC name of ethane;3-N-(2-ethylpentyl)butane-1,3-diamine?
The IUPAC name of ethane;3-N-(2-ethylpentyl)butane-1,3-diamine (CID 143412122) is ethane;3-N-(2-ethylpentyl)butane-1,3-diamine.
What is the SMILES notation for ethane;3-N-(2-ethylpentyl)butane-1,3-diamine?
The canonical SMILES for ethane;3-N-(2-ethylpentyl)butane-1,3-diamine is CC.CC.CCCC(CC)CNC(C)CCN.
What is the InChIKey of ethane;3-N-(2-ethylpentyl)butane-1,3-diamine?
The InChIKey is PRBWGPHFNXQYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2.2C2H6/c1-4-6-11(5-2)9-13-10(3)7-8-12;2*1-2/h10-11,13H,4-9,12H2,1-3H3;2*1-2H3.
What are the key properties of ethane;3-N-(2-ethylpentyl)butane-1,3-diamine?
ethane;3-N-(2-ethylpentyl)butane-1,3-diamine has a molecular weight of 246.48 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-N-(2-ethylpentyl)butane-1,3-diamine is sourced from PubChem (CID 143412122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).