1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine

C12H26N2 — CID 79069292

IUPAC1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(N)C1CC1
InChIInChI=1S/C12H26N2/c1-5-12(4,14(6-2)7-3)11(13)10-8-9-10/h10-11H,5-9,13H2,1-4H3
InChIKeyWDBBQZSLUKTJED-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds6

About 1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine

1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine (PubChem CID 79069292) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
PubChem CID79069292
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(N)C1CC1
InChIInChI=1S/C12H26N2/c1-5-12(4,14(6-2)7-3)11(13)10-8-9-10/h10-11H,5-9,13H2,1-4H3
InChIKeyWDBBQZSLUKTJED-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylcyclohexyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79068816
1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
CID 79068981
1-cyclohexyl-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79064562
1-cyclopropyl-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 79068683
3-N,3-N-diethyl-3-methyl-1-(oxan-4-yl)pentane-2,3-diamine
CID 79064633
1-(4-cyclobutylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 116506268
1-cyclopropyl-2-ethoxy-2-methylbutan-1-amine
CID 116758654
2-N,2-N,2-triethyl-1-(3-methylcyclohexyl)butane-1,2-diamine
CID 79061315
3-N,3-N-diethyl-3-methylhept-6-yne-3,4-diamine
CID 79068904
2-N,2-N,2-triethyl-1-(oxan-3-yl)butane-1,2-diamine
CID 107136583
N,N-diethyl-1-(2-ethylcyclohexyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240890
1-amino-1-cyclopropyl-2-methylpropan-2-ol
CID 67125150

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine (CID 79069292) is 1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine is CCN(CC)C(C)(CC)C(N)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine?
The InChIKey is WDBBQZSLUKTJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-12(4,14(6-2)7-3)11(13)10-8-9-10/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine?
1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine is sourced from PubChem (CID 79069292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).