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

C11H26N2 — CID 143412123

IUPAC3-N-(2-ethylpentyl)butane-1,3-diamine
SMILESCCCC(CC)CNC(C)CCN
InChIInChI=1S/C11H26N2/c1-4-6-11(5-2)9-13-10(3)7-8-12/h10-11,13H,4-9,12H2,1-3H3
InChIKeyVWMVZVFBDAKYJX-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.14
Rot. Bonds8

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

3-N-(2-ethylpentyl)butane-1,3-diamine (PubChem CID 143412123) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 3-N-(2-ethylpentyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-ethylpentyl)butane-1,3-diamine
PubChem CID143412123
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name3-N-(2-ethylpentyl)butane-1,3-diamine
SMILESCCCC(CC)CNC(C)CCN
InChIInChI=1S/C11H26N2/c1-4-6-11(5-2)9-13-10(3)7-8-12/h10-11,13H,4-9,12H2,1-3H3
InChIKeyVWMVZVFBDAKYJX-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-N-(2-ethylpentyl)butane-1,3-diamine
CID 143412122
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
3-methyl-1-N-pentan-2-ylbutane-1,2-diamine
CID 107886793
N-(2-chlorobutyl)pentan-2-amine
CID 107887575
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 3-N-(2-ethylpentyl)butane-1,3-diamine?
The IUPAC name of 3-N-(2-ethylpentyl)butane-1,3-diamine (CID 143412123) is 3-N-(2-ethylpentyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-(2-ethylpentyl)butane-1,3-diamine?
The canonical SMILES for 3-N-(2-ethylpentyl)butane-1,3-diamine is CCCC(CC)CNC(C)CCN.
What is the InChIKey of 3-N-(2-ethylpentyl)butane-1,3-diamine?
The InChIKey is VWMVZVFBDAKYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-4-6-11(5-2)9-13-10(3)7-8-12/h10-11,13H,4-9,12H2,1-3H3.
What are the key properties of 3-N-(2-ethylpentyl)butane-1,3-diamine?
3-N-(2-ethylpentyl)butane-1,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethylpentyl)butane-1,3-diamine is sourced from PubChem (CID 143412123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).