1-[[3-(N-methylanilino)propylamino]methyl]cycloheptan-1-ol

C18H30N2O — CID 60710937

IUPAC1-[[3-(N-methylanilino)propylamino]methyl]cycloheptan-1-ol
SMILESCN(CCCNCC1(O)CCCCCC1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-20(17-10-5-4-6-11-17)15-9-14-19-16-18(21)12-7-2-3-8-13-18/h4-6,10-11,19,21H,2-3,7-9,12-16H2,1H3
InChIKeyCSWWRCLZDRRKOR-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.19
Rot. Bonds7

About 1-[[3-(N-methylanilino)propylamino]methyl]cycloheptan-1-ol

1-[[3-(N-methylanilino)propylamino]methyl]cycloheptan-1-ol (PubChem CID 60710937) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[[3-(N-methylanilino)propylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[3-(N-methylanilino)propylamino]methyl]cycloheptan-1-ol
PubChem CID60710937
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[[3-(N-methylanilino)propylamino]methyl]cycloheptan-1-ol
SMILESCN(CCCNCC1(O)CCCCCC1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-20(17-10-5-4-6-11-17)15-9-14-19-16-18(21)12-7-2-3-8-13-18/h4-6,10-11,19,21H,2-3,7-9,12-16H2,1H3
InChIKeyCSWWRCLZDRRKOR-UHFFFAOYSA-N
XLogP3.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-(N-methylanilino)propylamino]methyl]cyclopentan-1-ol
CID 65211250
[1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol
CID 81399355
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea
CID 110936506
1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol
CID 65211357
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119831631
2-[6-(N-methylanilino)hexylamino]ethanol
CID 70247662
1-[(2-phenylethylamino)methyl]cyclopentan-1-ol
CID 65105220
N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 61488484
1-[[2-(dimethylamino)ethylamino]methyl]cyclopentan-1-ol
CID 65109208
1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
CID 65122781
5-[3-(N-methylanilino)propylamino]pentanoic acid
CID 103232553

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(N-methylanilino)propylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[3-(N-methylanilino)propylamino]methyl]cycloheptan-1-ol (CID 60710937) is 1-[[3-(N-methylanilino)propylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[3-(N-methylanilino)propylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[3-(N-methylanilino)propylamino]methyl]cycloheptan-1-ol is CN(CCCNCC1(O)CCCCCC1)c1ccccc1.
What is the InChIKey of 1-[[3-(N-methylanilino)propylamino]methyl]cycloheptan-1-ol?
The InChIKey is CSWWRCLZDRRKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-20(17-10-5-4-6-11-17)15-9-14-19-16-18(21)12-7-2-3-8-13-18/h4-6,10-11,19,21H,2-3,7-9,12-16H2,1H3.
What are the key properties of 1-[[3-(N-methylanilino)propylamino]methyl]cycloheptan-1-ol?
1-[[3-(N-methylanilino)propylamino]methyl]cycloheptan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(N-methylanilino)propylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 60710937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).