[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol

C16H32N2O — CID 62260834

IUPAC[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol
SMILESCC(C)(C)NCC1(CN2CCCC2CO)CCCC1
InChIInChI=1S/C16H32N2O/c1-15(2,3)17-12-16(8-4-5-9-16)13-18-10-6-7-14(18)11-19/h14,17,19H,4-13H2,1-3H3
InChIKeyICCMJGPBBADIBP-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.39
Rot. Bonds5

About [1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol

[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 62260834) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID62260834
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol
SMILESCC(C)(C)NCC1(CN2CCCC2CO)CCCC1
InChIInChI=1S/C16H32N2O/c1-15(2,3)17-12-16(8-4-5-9-16)13-18-10-6-7-14(18)11-19/h14,17,19H,4-13H2,1-3H3
InChIKeyICCMJGPBBADIBP-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol
CID 63740868
[1-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]piperidin-2-yl]methanol
CID 62259143
[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-3-yl]methanol
CID 62276274
[1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol
CID 65009034
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62278171
1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol
CID 106837816
[1-[[1-(phosphanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol
CID 172627736
N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 63739412
[1-[(tert-butylamino)methyl]cyclopentyl]methanol
CID 154955274
[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol
CID 61407164
N,N-dimethyl-1-[1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanamine
CID 62888681
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 79183944

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol (CID 62260834) is [1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol is CC(C)(C)NCC1(CN2CCCC2CO)CCCC1.
What is the InChIKey of [1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is ICCMJGPBBADIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2,3)17-12-16(8-4-5-9-16)13-18-10-6-7-14(18)11-19/h14,17,19H,4-13H2,1-3H3.
What are the key properties of [1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol?
[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 268.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62260834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).