N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine

C18H30N2 — CID 62422996

IUPACN-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine
SMILESCCCNCc1ccccc1CN(C)C1CCCCC1
InChIInChI=1S/C18H30N2/c1-3-13-19-14-16-9-7-8-10-17(16)15-20(2)18-11-5-4-6-12-18/h7-10,18-19H,3-6,11-15H2,1-2H3
InChIKeyMFAHTEHGQRQMAJ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.95
Rot. Bonds7

About N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine

N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine (PubChem CID 62422996) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine
PubChem CID62422996
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine
SMILESCCCNCc1ccccc1CN(C)C1CCCCC1
InChIInChI=1S/C18H30N2/c1-3-13-19-14-16-9-7-8-10-17(16)15-20(2)18-11-5-4-6-12-18/h7-10,18-19H,3-6,11-15H2,1-2H3
InChIKeyMFAHTEHGQRQMAJ-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 43281753
N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine
CID 106905570
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62434059
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62417950
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cyclopentanamine
CID 62419092
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 63314661
4-chloro-N-cyclohexyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847451
N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 63551560
N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine
CID 55129561
1-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 111896890
N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62413781
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970372

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine?
The IUPAC name of N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine (CID 62422996) is N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine.
What is the SMILES notation for N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine?
The canonical SMILES for N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine is CCCNCc1ccccc1CN(C)C1CCCCC1.
What is the InChIKey of N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine?
The InChIKey is MFAHTEHGQRQMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-13-19-14-16-9-7-8-10-17(16)15-20(2)18-11-5-4-6-12-18/h7-10,18-19H,3-6,11-15H2,1-2H3.
What are the key properties of N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine?
N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine has a molecular weight of 274.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine is sourced from PubChem (CID 62422996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).