3-N-(cyclobutylmethyl)-2-N,3-N-diethylbutane-2,3-diamine

C13H28N2 — CID 107398113

IUPAC3-N-(cyclobutylmethyl)-2-N,3-N-diethylbutane-2,3-diamine
SMILESCCNC(C)C(C)N(CC)CC1CCC1
InChIInChI=1S/C13H28N2/c1-5-14-11(3)12(4)15(6-2)10-13-8-7-9-13/h11-14H,5-10H2,1-4H3
InChIKeyFFFFOTDLWSLYRY-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds7

About 3-N-(cyclobutylmethyl)-2-N,3-N-diethylbutane-2,3-diamine

3-N-(cyclobutylmethyl)-2-N,3-N-diethylbutane-2,3-diamine (PubChem CID 107398113) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-N-(cyclobutylmethyl)-2-N,3-N-diethylbutane-2,3-diamine.

Molecular Properties

Compound Name3-N-(cyclobutylmethyl)-2-N,3-N-diethylbutane-2,3-diamine
PubChem CID107398113
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-N-(cyclobutylmethyl)-2-N,3-N-diethylbutane-2,3-diamine
SMILESCCNC(C)C(C)N(CC)CC1CCC1
InChIInChI=1S/C13H28N2/c1-5-14-11(3)12(4)15(6-2)10-13-8-7-9-13/h11-14H,5-10H2,1-4H3
InChIKeyFFFFOTDLWSLYRY-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 107402116
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 107402528
2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine
CID 63727178
2-[cyclobutylmethyl(ethyl)amino]propanehydrazide
CID 107402367
1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine
CID 107402162
2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 63938927
1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine
CID 107397983
3-[cyclopentylmethyl(ethyl)amino]butanoic acid
CID 62825666
2-[cyclobutylmethyl(ethyl)amino]butanoic acid
CID 107399547
1-cyclopentyl-N,N'-diethyl-N'-propan-2-ylethane-1,2-diamine
CID 104744640
N-(cyclobutylmethyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 121474434
1,2-di(cyclobutyl)-N-ethylethanamine
CID 65456991

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclobutylmethyl)-2-N,3-N-diethylbutane-2,3-diamine?
The IUPAC name of 3-N-(cyclobutylmethyl)-2-N,3-N-diethylbutane-2,3-diamine (CID 107398113) is 3-N-(cyclobutylmethyl)-2-N,3-N-diethylbutane-2,3-diamine.
What is the SMILES notation for 3-N-(cyclobutylmethyl)-2-N,3-N-diethylbutane-2,3-diamine?
The canonical SMILES for 3-N-(cyclobutylmethyl)-2-N,3-N-diethylbutane-2,3-diamine is CCNC(C)C(C)N(CC)CC1CCC1.
What is the InChIKey of 3-N-(cyclobutylmethyl)-2-N,3-N-diethylbutane-2,3-diamine?
The InChIKey is FFFFOTDLWSLYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-14-11(3)12(4)15(6-2)10-13-8-7-9-13/h11-14H,5-10H2,1-4H3.
What are the key properties of 3-N-(cyclobutylmethyl)-2-N,3-N-diethylbutane-2,3-diamine?
3-N-(cyclobutylmethyl)-2-N,3-N-diethylbutane-2,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclobutylmethyl)-2-N,3-N-diethylbutane-2,3-diamine is sourced from PubChem (CID 107398113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).