3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol

C17H36N2O — CID 62271713

IUPAC3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)CC1(CNC(C)(C)C)CCCC1
InChIInChI=1S/C17H36N2O/c1-15(2)19(11-8-12-20)14-17(9-6-7-10-17)13-18-16(3,4)5/h15,18,20H,6-14H2,1-5H3
InChIKeyOHZDWTWLMRYVFA-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.03
Rot. Bonds8

About 3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol

3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol (PubChem CID 62271713) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol
PubChem CID62271713
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)CC1(CNC(C)(C)C)CCCC1
InChIInChI=1S/C17H36N2O/c1-15(2)19(11-8-12-20)14-17(9-6-7-10-17)13-18-16(3,4)5/h15,18,20H,6-14H2,1-5H3
InChIKeyOHZDWTWLMRYVFA-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol with MolForge

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Related Compounds

N-[[1-[[2-methoxyethyl(propan-2-yl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82941124
2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-propan-2-ylamino]ethanol
CID 62392050
2-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl-methylamino]ethanol
CID 62257930
N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine
CID 62262894
[1-[(tert-butylamino)methyl]cyclopentyl]methanol
CID 154955274
2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486979
3-[propan-2-yl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]propan-1-ol
CID 55056362
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine
CID 55051857
2-methyl-N-[[3-[[propan-2-yl(propyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62263490
2-[[1-(bromomethyl)cyclohexyl]methyl-propan-2-ylamino]ethanol
CID 65002178
N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699316
N-[[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 82952519

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol (CID 62271713) is 3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)CC1(CNC(C)(C)C)CCCC1.
What is the InChIKey of 3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol?
The InChIKey is OHZDWTWLMRYVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-15(2)19(11-8-12-20)14-17(9-6-7-10-17)13-18-16(3,4)5/h15,18,20H,6-14H2,1-5H3.
What are the key properties of 3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol?
3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol has a molecular weight of 284.49 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 62271713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).