ethane;ethene;N,N,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine

C21H37N — CID 142809981

IUPACethane;ethene;N,N,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
SMILESC=C.CC.Cc1cccc(CC2(N(C)C)CCC(C)CC2)c1
InChIInChI=1S/C17H27N.C2H6.C2H4/c1-14-8-10-17(11-9-14,18(3)4)13-16-7-5-6-15(2)12-16;2*1-2/h5-7,12,14H,8-11,13H2,1-4H3;1-2H3;1-2H2
InChIKeyCSKDUKRGVFKNQY-UHFFFAOYSA-N
MW303.53 g/mol
LogP5.88
Rot. Bonds3

About ethane;ethene;N,N,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine

ethane;ethene;N,N,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 142809981) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is ethane;ethene;N,N,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Nameethane;ethene;N,N,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID142809981
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC Nameethane;ethene;N,N,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
SMILESC=C.CC.Cc1cccc(CC2(N(C)C)CCC(C)CC2)c1
InChIInChI=1S/C17H27N.C2H6.C2H4/c1-14-8-10-17(11-9-14,18(3)4)13-16-7-5-6-15(2)12-16;2*1-2/h5-7,12,14H,8-11,13H2,1-4H3;1-2H3;1-2H2
InChIKeyCSKDUKRGVFKNQY-UHFFFAOYSA-N
XLogP5.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide
CID 91455018
4-methyl-1-[(3-methylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 65393242
4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 65084703
1-(aminomethyl)-N,4-dimethyl-N-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 65084665
2-benzylsulfanyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide
CID 11704258
3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64733945
N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[(4-methoxyphenyl)methyl]butanediamide
CID 11634099
2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide
CID 11676011
1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077
(5-methyl-2-phenyltriazol-4-yl) N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]carbamate
CID 91304802
4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60799490
ethane;methylcyclopropane;1,3-xylene
CID 142338532

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;N,N,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of ethane;ethene;N,N,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine (CID 142809981) is ethane;ethene;N,N,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for ethane;ethene;N,N,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for ethane;ethene;N,N,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine is C=C.CC.Cc1cccc(CC2(N(C)C)CCC(C)CC2)c1.
What is the InChIKey of ethane;ethene;N,N,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is CSKDUKRGVFKNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N.C2H6.C2H4/c1-14-8-10-17(11-9-14,18(3)4)13-16-7-5-6-15(2)12-16;2*1-2/h5-7,12,14H,8-11,13H2,1-4H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;N,N,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine?
ethane;ethene;N,N,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 303.53 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;N,N,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 142809981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).