1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol

C16H26N2O — CID 114948538

IUPAC1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCc1cc(CN)ccc1CN(C)CC1(O)CCCC1
InChIInChI=1S/C16H26N2O/c1-13-9-14(10-17)5-6-15(13)11-18(2)12-16(19)7-3-4-8-16/h5-6,9,19H,3-4,7-8,10-12,17H2,1-2H3
InChIKeyCUIWAYCLMXTQEH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.19
Rot. Bonds5

About 1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol

1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114948538) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID114948538
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCc1cc(CN)ccc1CN(C)CC1(O)CCCC1
InChIInChI=1S/C16H26N2O/c1-13-9-14(10-17)5-6-15(13)11-18(2)12-16(19)7-3-4-8-16/h5-6,9,19H,3-4,7-8,10-12,17H2,1-2H3
InChIKeyCUIWAYCLMXTQEH-UHFFFAOYSA-N
XLogP2.19
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
CID 114478620
1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321838
[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
CID 114478646
5-fluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzenecarbothioamide
CID 114949509
4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 114952780
1-[[3-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol
CID 114948529
1-[[3-[4-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol
CID 114948550
[4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 115213236
4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid
CID 65212652
1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 115750745
1-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114953324
1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321844

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol (CID 114948538) is 1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol is Cc1cc(CN)ccc1CN(C)CC1(O)CCCC1.
What is the InChIKey of 1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is CUIWAYCLMXTQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-9-14(10-17)5-6-15(13)11-18(2)12-16(19)7-3-4-8-16/h5-6,9,19H,3-4,7-8,10-12,17H2,1-2H3.
What are the key properties of 1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol?
1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114948538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).