1-[[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol

C18H30N2O — CID 114950578

IUPAC1-[[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol
SMILESCc1cc(CNC(C)C)ccc1N(C)CC1(O)CCCC1
InChIInChI=1S/C18H30N2O/c1-14(2)19-12-16-7-8-17(15(3)11-16)20(4)13-18(21)9-5-6-10-18/h7-8,11,14,19,21H,5-6,9-10,12-13H2,1-4H3
InChIKeyVUIUSEBHVQOPJL-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.23
Rot. Bonds6

About 1-[[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol

1-[[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol (PubChem CID 114950578) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol
PubChem CID114950578
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol
SMILESCc1cc(CNC(C)C)ccc1N(C)CC1(O)CCCC1
InChIInChI=1S/C18H30N2O/c1-14(2)19-12-16-7-8-17(15(3)11-16)20(4)13-18(21)9-5-6-10-18/h7-8,11,14,19,21H,5-6,9-10,12-13H2,1-4H3
InChIKeyVUIUSEBHVQOPJL-UHFFFAOYSA-N
XLogP3.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol
CID 114950569
1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 114950640
1-[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]-3-methoxypropan-2-ol
CID 62124541
N-methyl-N-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]oxan-4-amine
CID 62121051
N-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline
CID 62120321
N-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 63553009
1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol
CID 104985486
1-[[2-(ethylaminomethyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950572
1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 104985405
4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline
CID 115890541
4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol
CID 114950656
N,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 66481601

Frequently Asked Questions

What is the IUPAC name of 1-[[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol (CID 114950578) is 1-[[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol is Cc1cc(CNC(C)C)ccc1N(C)CC1(O)CCCC1.
What is the InChIKey of 1-[[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol?
The InChIKey is VUIUSEBHVQOPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)19-12-16-7-8-17(15(3)11-16)20(4)13-18(21)9-5-6-10-18/h7-8,11,14,19,21H,5-6,9-10,12-13H2,1-4H3.
What are the key properties of 1-[[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol?
1-[[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114950578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).