1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine

C12H26N2 — CID 79813469

IUPAC1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine
SMILESCCC(N)(CC)CN(C)CC1CCC1
InChIInChI=1S/C12H26N2/c1-4-12(13,5-2)10-14(3)9-11-7-6-8-11/h11H,4-10,13H2,1-3H3
InChIKeyHETOUFJIYODPER-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.24
Rot. Bonds6

About 1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine

1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine (PubChem CID 79813469) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine
PubChem CID79813469
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine
SMILESCCC(N)(CC)CN(C)CC1CCC1
InChIInChI=1S/C12H26N2/c1-4-12(13,5-2)10-14(3)9-11-7-6-8-11/h11H,4-10,13H2,1-3H3
InChIKeyHETOUFJIYODPER-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
CID 79814121
N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine
CID 138459636
methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate
CID 62861557
1-N-(cyclopropylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 65267342
2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine
CID 65005083
N'-(cyclohexylmethyl)-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62259886
1-N-(cyclohexylmethyl)-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62834837
N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55195024
3-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol
CID 64786271
2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal
CID 62862235
1-amino-3-[cyclohexylmethyl(methyl)amino]-2-methylpropan-2-ol
CID 64819127
2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine
CID 62860217

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine?
The IUPAC name of 1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine (CID 79813469) is 1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine is CCC(N)(CC)CN(C)CC1CCC1.
What is the InChIKey of 1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine?
The InChIKey is HETOUFJIYODPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-12(13,5-2)10-14(3)9-11-7-6-8-11/h11H,4-10,13H2,1-3H3.
What are the key properties of 1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine?
1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine is sourced from PubChem (CID 79813469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).