1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol

C18H30N2O — CID 114953543

IUPAC1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol
SMILESCNC(c1ccccc1)C(C)CN(C)CC1(O)CCCC1
InChIInChI=1S/C18H30N2O/c1-15(17(19-2)16-9-5-4-6-10-16)13-20(3)14-18(21)11-7-8-12-18/h4-6,9-10,15,17,19,21H,7-8,11-14H2,1-3H3
InChIKeyOVVSQEGSDKTLRC-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.82
Rot. Bonds7

About 1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol

1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol (PubChem CID 114953543) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol
PubChem CID114953543
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol
SMILESCNC(c1ccccc1)C(C)CN(C)CC1(O)CCCC1
InChIInChI=1S/C18H30N2O/c1-15(17(19-2)16-9-5-4-6-10-16)13-20(3)14-18(21)11-7-8-12-18/h4-6,9-10,15,17,19,21H,7-8,11-14H2,1-3H3
InChIKeyOVVSQEGSDKTLRC-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

2-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 55098990
N'-ethyl-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62619239
N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine
CID 62619073
N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717
N,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine
CID 62618953
5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol
CID 107204642
3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one
CID 114953371
N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62617540
N,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
CID 63713541
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233
N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine
CID 112665001
2-[cyclopentyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 62618091

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol (CID 114953543) is 1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol is CNC(c1ccccc1)C(C)CN(C)CC1(O)CCCC1.
What is the InChIKey of 1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is OVVSQEGSDKTLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(17(19-2)16-9-5-4-6-10-16)13-20(3)14-18(21)11-7-8-12-18/h4-6,9-10,15,17,19,21H,7-8,11-14H2,1-3H3.
What are the key properties of 1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol?
1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114953543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).