[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]cyclopentyl]methanol

C16H29NO — CID 103829321

IUPAC[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]cyclopentyl]methanol
SMILESCC1(C)C(NC2CCCC2CO)[C@]2(C)CC[C@H]1C2
InChIInChI=1S/C16H29NO/c1-15(2)12-7-8-16(3,9-12)14(15)17-13-6-4-5-11(13)10-18/h11-14,17-18H,4-10H2,1-3H3/t11?,12-,13?,14?,16+/m0/s1
InChIKeyDAHFDDVNWCGAEF-MMZDLVFRSA-N
MW251.41 g/mol
LogP2.95
Rot. Bonds3

About [2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]cyclopentyl]methanol

[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]cyclopentyl]methanol (PubChem CID 103829321) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is [2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]cyclopentyl]methanol
PubChem CID103829321
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]cyclopentyl]methanol
SMILESCC1(C)C(NC2CCCC2CO)[C@]2(C)CC[C@H]1C2
InChIInChI=1S/C16H29NO/c1-15(2)12-7-8-16(3,9-12)14(15)17-13-6-4-5-11(13)10-18/h11-14,17-18H,4-10H2,1-3H3/t11?,12-,13?,14?,16+/m0/s1
InChIKeyDAHFDDVNWCGAEF-MMZDLVFRSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]cyclopentyl]methanol with MolForge

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Related Compounds

(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015
[1-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol
CID 81418548
[2-(cyclopropylamino)cyclopentyl]methanol
CID 83863384
3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 115400216
1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
CID 113302646
1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-3-amine
CID 113302649
4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol
CID 115400849
(1R,4S)-N-(3-methoxycyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 114118896
[(1S)-2-(methylamino)cyclopentyl]methanol
CID 123545278
2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978835
2-hydroxyethyl N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate
CID 79345831

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]cyclopentyl]methanol?
The IUPAC name of [2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]cyclopentyl]methanol (CID 103829321) is [2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]cyclopentyl]methanol?
The canonical SMILES for [2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]cyclopentyl]methanol is CC1(C)C(NC2CCCC2CO)[C@]2(C)CC[C@H]1C2.
What is the InChIKey of [2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]cyclopentyl]methanol?
The InChIKey is DAHFDDVNWCGAEF-MMZDLVFRSA-N. The full InChI is InChI=1S/C16H29NO/c1-15(2)12-7-8-16(3,9-12)14(15)17-13-6-4-5-11(13)10-18/h11-14,17-18H,4-10H2,1-3H3/t11?,12-,13?,14?,16+/m0/s1.
What are the key properties of [2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]cyclopentyl]methanol?
[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]cyclopentyl]methanol has a molecular weight of 251.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]cyclopentyl]methanol is sourced from PubChem (CID 103829321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).