N,N-dimethyl-1-(2,3,3,4,4-pentamethylcyclohexyl)methanamine

C14H29N — CID 123347967

IUPACN,N-dimethyl-1-(2,3,3,4,4-pentamethylcyclohexyl)methanamine
SMILESCC1C(CN(C)C)CCC(C)(C)C1(C)C
InChIInChI=1S/C14H29N/c1-11-12(10-15(6)7)8-9-13(2,3)14(11,4)5/h11-12H,8-10H2,1-7H3
InChIKeyGRHMVHWIQFXKEC-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.65
Rot. Bonds2

About N,N-dimethyl-1-(2,3,3,4,4-pentamethylcyclohexyl)methanamine

N,N-dimethyl-1-(2,3,3,4,4-pentamethylcyclohexyl)methanamine (PubChem CID 123347967) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N,N-dimethyl-1-(2,3,3,4,4-pentamethylcyclohexyl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2,3,3,4,4-pentamethylcyclohexyl)methanamine
PubChem CID123347967
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN,N-dimethyl-1-(2,3,3,4,4-pentamethylcyclohexyl)methanamine
SMILESCC1C(CN(C)C)CCC(C)(C)C1(C)C
InChIInChI=1S/C14H29N/c1-11-12(10-15(6)7)8-9-13(2,3)14(11,4)5/h11-12H,8-10H2,1-7H3
InChIKeyGRHMVHWIQFXKEC-UHFFFAOYSA-N
XLogP3.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane
CID 57072074
1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine
CID 22812116
N,N-dimethyl-1-[(2S)-2-methylcyclopropyl]methanamine
CID 153082605
N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropyl]methanamine
CID 129256150
N,N-dimethyl-1-[(1S,2R)-2-methylcyclopentyl]methanamine
CID 167145219
[(1R)-2,2,3,3-tetramethylcyclopentyl]methanamine
CID 58477002
1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine
CID 12505970
3-ethyl-1,1,2-trimethylcyclopentane
CID 123564312
[(1S,2R)-2-[(dimethylamino)methyl]cyclopentyl]methanamine
CID 84716624
2,2,3,3-tetramethylcyclopentan-1-ol
CID 20584587
2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
CID 3028098
3-[3-[(dimethylamino)methyl]-1,2,2-trimethylcyclohexyl]-1,1-dimethylurea
CID 175451326

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2,3,3,4,4-pentamethylcyclohexyl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2,3,3,4,4-pentamethylcyclohexyl)methanamine (CID 123347967) is N,N-dimethyl-1-(2,3,3,4,4-pentamethylcyclohexyl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2,3,3,4,4-pentamethylcyclohexyl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2,3,3,4,4-pentamethylcyclohexyl)methanamine is CC1C(CN(C)C)CCC(C)(C)C1(C)C.
What is the InChIKey of N,N-dimethyl-1-(2,3,3,4,4-pentamethylcyclohexyl)methanamine?
The InChIKey is GRHMVHWIQFXKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-11-12(10-15(6)7)8-9-13(2,3)14(11,4)5/h11-12H,8-10H2,1-7H3.
What are the key properties of N,N-dimethyl-1-(2,3,3,4,4-pentamethylcyclohexyl)methanamine?
N,N-dimethyl-1-(2,3,3,4,4-pentamethylcyclohexyl)methanamine has a molecular weight of 211.39 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2,3,3,4,4-pentamethylcyclohexyl)methanamine is sourced from PubChem (CID 123347967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).