4,4-dimethyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)pentan-1-ol

C17H31NO — CID 104926034

IUPAC4,4-dimethyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)NC1CC2CC1C1CCCC21
InChIInChI=1S/C17H31NO/c1-17(2,3)16(7-8-19)18-15-10-11-9-14(15)13-6-4-5-12(11)13/h11-16,18-19H,4-10H2,1-3H3
InChIKeyQDXFXLUFSCKWSL-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.20
Rot. Bonds4

About 4,4-dimethyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)pentan-1-ol

4,4-dimethyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)pentan-1-ol (PubChem CID 104926034) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 4,4-dimethyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)pentan-1-ol
PubChem CID104926034
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name4,4-dimethyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)NC1CC2CC1C1CCCC21
InChIInChI=1S/C17H31NO/c1-17(2,3)16(7-8-19)18-15-10-11-9-14(15)13-6-4-5-12(11)13/h11-16,18-19H,4-10H2,1-3H3
InChIKeyQDXFXLUFSCKWSL-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)pentan-1-ol with MolForge

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Related Compounds

3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol
CID 106348908
(2R)-2-(8-tricyclo[5.2.1.02,6]decanylamino)butan-1-ol
CID 103922588
2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide
CID 43402411
4,4-dimethyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol
CID 106348971
3-amino-2,2,3-trimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide
CID 65264411
2-(aminomethyl)-4,4-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pentanamide
CID 107471384
2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 78858492
(1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine
CID 124708771
4,4-dimethyl-3-[(1-methylpiperidin-3-yl)amino]pentan-1-ol
CID 106349071
2-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)pentanamide
CID 43710212
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol
CID 104663685
N-(3-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 115886299

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)pentan-1-ol (CID 104926034) is 4,4-dimethyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)pentan-1-ol is CC(C)(C)C(CCO)NC1CC2CC1C1CCCC21.
What is the InChIKey of 4,4-dimethyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)pentan-1-ol?
The InChIKey is QDXFXLUFSCKWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-17(2,3)16(7-8-19)18-15-10-11-9-14(15)13-6-4-5-12(11)13/h11-16,18-19H,4-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)pentan-1-ol?
4,4-dimethyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)pentan-1-ol has a molecular weight of 265.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)pentan-1-ol is sourced from PubChem (CID 104926034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).