N-(1-ethylcyclobutyl)-2,3-dimethyl-N-propan-2-ylcyclohexan-1-amine;2-methylpropane

C21H43N — CID 171106679

IUPACN-(1-ethylcyclobutyl)-2,3-dimethyl-N-propan-2-ylcyclohexan-1-amine;2-methylpropane
SMILESCC(C)C.CCC1(N(C(C)C)C2CCCC(C)C2C)CCC1
InChIInChI=1S/C17H33N.C4H10/c1-6-17(11-8-12-17)18(13(2)3)16-10-7-9-14(4)15(16)5;1-4(2)3/h13-16H,6-12H2,1-5H3;4H,1-3H3
InChIKeyOVQKRLTYCWJSPA-UHFFFAOYSA-N
MW309.58 g/mol
LogP6.52
Rot. Bonds4

About N-(1-ethylcyclobutyl)-2,3-dimethyl-N-propan-2-ylcyclohexan-1-amine;2-methylpropane

N-(1-ethylcyclobutyl)-2,3-dimethyl-N-propan-2-ylcyclohexan-1-amine;2-methylpropane (PubChem CID 171106679) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is N-(1-ethylcyclobutyl)-2,3-dimethyl-N-propan-2-ylcyclohexan-1-amine;2-methylpropane.

Molecular Properties

Compound NameN-(1-ethylcyclobutyl)-2,3-dimethyl-N-propan-2-ylcyclohexan-1-amine;2-methylpropane
PubChem CID171106679
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC NameN-(1-ethylcyclobutyl)-2,3-dimethyl-N-propan-2-ylcyclohexan-1-amine;2-methylpropane
SMILESCC(C)C.CCC1(N(C(C)C)C2CCCC(C)C2C)CCC1
InChIInChI=1S/C17H33N.C4H10/c1-6-17(11-8-12-17)18(13(2)3)16-10-7-9-14(4)15(16)5;1-4(2)3/h13-16H,6-12H2,1-5H3;4H,1-3H3
InChIKeyOVQKRLTYCWJSPA-UHFFFAOYSA-N
XLogP6.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butan-2-yl-N,2-dimethylcyclopentan-1-amine
CID 130634772
(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine
CID 124710315
2-[(2,3-dimethylcyclohexyl)-(2-methylpropyl)amino]acetic acid
CID 65064000
1-(1-chloropropyl)-2,3-dimethylcyclohexane
CID 79307395
bis(cis-(1R,3S)-1,2,3-trimethylcyclohexane);ethane;trans-(1R,3R)-1,2,3-trimethylcyclohexane;trans-(1S,3S)-1,2,3-trimethylcyclohexane
CID 159423261
cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane
CID 142244795
1,2-dimethylcyclohexane;2-methylpropane
CID 143562785
1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine
CID 63467007
N-ethyl-2,3-dimethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine
CID 79715470
1-(1-cyclobutylethyl)-1-ethyl-2,3-dimethyl-4-propan-2-ylcyclobutane
CID 143367935
(2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide
CID 124727118
2,3-dimethyl-N-(4-methylsulfonylbutan-2-yl)cyclohexan-1-amine
CID 119039306

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclobutyl)-2,3-dimethyl-N-propan-2-ylcyclohexan-1-amine;2-methylpropane?
The IUPAC name of N-(1-ethylcyclobutyl)-2,3-dimethyl-N-propan-2-ylcyclohexan-1-amine;2-methylpropane (CID 171106679) is N-(1-ethylcyclobutyl)-2,3-dimethyl-N-propan-2-ylcyclohexan-1-amine;2-methylpropane.
What is the SMILES notation for N-(1-ethylcyclobutyl)-2,3-dimethyl-N-propan-2-ylcyclohexan-1-amine;2-methylpropane?
The canonical SMILES for N-(1-ethylcyclobutyl)-2,3-dimethyl-N-propan-2-ylcyclohexan-1-amine;2-methylpropane is CC(C)C.CCC1(N(C(C)C)C2CCCC(C)C2C)CCC1.
What is the InChIKey of N-(1-ethylcyclobutyl)-2,3-dimethyl-N-propan-2-ylcyclohexan-1-amine;2-methylpropane?
The InChIKey is OVQKRLTYCWJSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N.C4H10/c1-6-17(11-8-12-17)18(13(2)3)16-10-7-9-14(4)15(16)5;1-4(2)3/h13-16H,6-12H2,1-5H3;4H,1-3H3.
What are the key properties of N-(1-ethylcyclobutyl)-2,3-dimethyl-N-propan-2-ylcyclohexan-1-amine;2-methylpropane?
N-(1-ethylcyclobutyl)-2,3-dimethyl-N-propan-2-ylcyclohexan-1-amine;2-methylpropane has a molecular weight of 309.58 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclobutyl)-2,3-dimethyl-N-propan-2-ylcyclohexan-1-amine;2-methylpropane is sourced from PubChem (CID 171106679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).