N-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline

C18H30N2 — CID 63551559

IUPACN-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline
SMILESCC1CCCC(N(C)c2ccc(CNC(C)C)cc2)C1
InChIInChI=1S/C18H30N2/c1-14(2)19-13-16-8-10-17(11-9-16)20(4)18-7-5-6-15(3)12-18/h8-11,14-15,18-19H,5-7,12-13H2,1-4H3
InChIKeyQDEKDFNJUBZBJJ-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.20
Rot. Bonds5

About N-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline

N-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline (PubChem CID 63551559) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound NameN-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline
PubChem CID63551559
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline
SMILESCC1CCCC(N(C)c2ccc(CNC(C)C)cc2)C1
InChIInChI=1S/C18H30N2/c1-14(2)19-13-16-8-10-17(11-9-16)20(4)18-7-5-6-15(3)12-18/h8-11,14-15,18-19H,5-7,12-13H2,1-4H3
InChIKeyQDEKDFNJUBZBJJ-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 107081489
N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
CID 62283943
N-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine
CID 62456835
5-chloro-N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62283930
N-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970227
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
4-[methyl-(3-methylcyclohexyl)amino]benzoic acid
CID 61446292
N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 43281747
N-methyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 63711740
N,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine
CID 62433546
N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine
CID 63493866
5-(2-aminopropyl)-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine
CID 80634729

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of N-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline (CID 63551559) is N-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for N-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for N-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline is CC1CCCC(N(C)c2ccc(CNC(C)C)cc2)C1.
What is the InChIKey of N-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline?
The InChIKey is QDEKDFNJUBZBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(2)19-13-16-8-10-17(11-9-16)20(4)18-7-5-6-15(3)12-18/h8-11,14-15,18-19H,5-7,12-13H2,1-4H3.
What are the key properties of N-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline?
N-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline has a molecular weight of 274.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 63551559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).