1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol

C15H29NO2 — CID 115359618

IUPAC1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol
SMILESOCC1(CNCC2(O)CCCCCC2)CCCC1
InChIInChI=1S/C15H29NO2/c17-13-14(7-5-6-8-14)11-16-12-15(18)9-3-1-2-4-10-15/h16-18H,1-13H2
InChIKeyFJBRTEDSQHLORW-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.21
Rot. Bonds5

About 1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol

1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol (PubChem CID 115359618) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol
PubChem CID115359618
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol
SMILESOCC1(CNCC2(O)CCCCCC2)CCCC1
InChIInChI=1S/C15H29NO2/c17-13-14(7-5-6-8-14)11-16-12-15(18)9-3-1-2-4-10-15/h16-18H,1-13H2
InChIKeyFJBRTEDSQHLORW-UHFFFAOYSA-N
XLogP2.21
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol with MolForge

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Related Compounds

4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile
CID 115359670
[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
CID 22328250
1-[[(1-methylcyclopentyl)methylamino]methyl]cyclopentan-1-ol
CID 65211055
[1-[(but-3-enylamino)methyl]cyclohexyl]methanol
CID 103966311
[1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol
CID 112703676
[1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol
CID 81419373
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
CID 81411374
1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
CID 65122781
[1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81419818
1-[[(2-methylthiolan-2-yl)methylamino]methyl]cycloheptan-1-ol
CID 80721571
1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol
CID 114113614
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanenitrile
CID 103966347

Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol (CID 115359618) is 1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol is OCC1(CNCC2(O)CCCCCC2)CCCC1.
What is the InChIKey of 1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol?
The InChIKey is FJBRTEDSQHLORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c17-13-14(7-5-6-8-14)11-16-12-15(18)9-3-1-2-4-10-15/h16-18H,1-13H2.
What are the key properties of 1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol?
1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 115359618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).