N-[(3-tert-butyl-2-methylcyclobutyl)methyl]-N-methylpropan-2-amine

C14H29N — CID 138615187

IUPACN-[(3-tert-butyl-2-methylcyclobutyl)methyl]-N-methylpropan-2-amine
SMILESCC1C(CN(C)C(C)C)CC1C(C)(C)C
InChIInChI=1S/C14H29N/c1-10(2)15(7)9-12-8-13(11(12)3)14(4,5)6/h10-13H,8-9H2,1-7H3
InChIKeyKZLKNMMGVROMHS-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.64
Rot. Bonds3

About N-[(3-tert-butyl-2-methylcyclobutyl)methyl]-N-methylpropan-2-amine

N-[(3-tert-butyl-2-methylcyclobutyl)methyl]-N-methylpropan-2-amine (PubChem CID 138615187) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-[(3-tert-butyl-2-methylcyclobutyl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-2-methylcyclobutyl)methyl]-N-methylpropan-2-amine
PubChem CID138615187
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-[(3-tert-butyl-2-methylcyclobutyl)methyl]-N-methylpropan-2-amine
SMILESCC1C(CN(C)C(C)C)CC1C(C)(C)C
InChIInChI=1S/C14H29N/c1-10(2)15(7)9-12-8-13(11(12)3)14(4,5)6/h10-13H,8-9H2,1-7H3
InChIKeyKZLKNMMGVROMHS-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Fluoro-2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane
CID 176558603
N-ethyl-N-[2-(3-fluoro-1-methyl-3-propan-2-ylcyclobutyl)ethyl]propan-2-amine
CID 177967626
1-Butyl-4-tert-butyl-2-ethylpyrrolidine
CID 15503456
2-Butyl-1-isopropyl-3,3-dimethylazetidine
CID 10986950
cis-(1R,2R)-2-tert-butyl-N,N-dimethylcyclopentan-1-amine
CID 21609687
3,5,5-trimethyl-N,N-di(propan-2-yl)hexan-1-amine
CID 20687221
2-(3,3-Dimethylbutan-2-yl)-1,6-dimethylpiperidine
CID 20707875
1-Cyclobutyl-4,4-di(propan-2-yl)piperidine
CID 21068588
2,6,6-Trimethyl-2-azabicyclo[3.1.1]heptane
CID 22597241
1,2,2,4,4,5,6-Heptamethylpiperidine
CID 23546869
2,7-Di(propan-2-yl)-7-azaspiro[3.5]nonane
CID 23594832
(2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine
CID 58149350

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-2-methylcyclobutyl)methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[(3-tert-butyl-2-methylcyclobutyl)methyl]-N-methylpropan-2-amine (CID 138615187) is N-[(3-tert-butyl-2-methylcyclobutyl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[(3-tert-butyl-2-methylcyclobutyl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[(3-tert-butyl-2-methylcyclobutyl)methyl]-N-methylpropan-2-amine is CC1C(CN(C)C(C)C)CC1C(C)(C)C.
What is the InChIKey of N-[(3-tert-butyl-2-methylcyclobutyl)methyl]-N-methylpropan-2-amine?
The InChIKey is KZLKNMMGVROMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-10(2)15(7)9-12-8-13(11(12)3)14(4,5)6/h10-13H,8-9H2,1-7H3.
What are the key properties of N-[(3-tert-butyl-2-methylcyclobutyl)methyl]-N-methylpropan-2-amine?
N-[(3-tert-butyl-2-methylcyclobutyl)methyl]-N-methylpropan-2-amine has a molecular weight of 211.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-2-methylcyclobutyl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 138615187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).