3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol

C10H21NO2 — CID 115454323

IUPAC3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCC1(CO)CC1
InChIInChI=1S/C10H21NO2/c1-9(2,7-12)5-11-6-10(8-13)3-4-10/h11-13H,3-8H2,1-2H3
InChIKeyPKNVKMPLAQOJJD-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.37
Rot. Bonds6

About 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol

3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol (PubChem CID 115454323) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol
PubChem CID115454323
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCC1(CO)CC1
InChIInChI=1S/C10H21NO2/c1-9(2,7-12)5-11-6-10(8-13)3-4-10/h11-13H,3-8H2,1-2H3
InChIKeyPKNVKMPLAQOJJD-UHFFFAOYSA-N
XLogP0.37
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol
CID 115243777
1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol
CID 114493450
3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]oxolan-3-ol
CID 106099957
[3-[(2,2,4-trimethylpentylamino)methyl]oxetan-3-yl]methanol
CID 115249148
3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol
CID 106100165
[1-(butylaminomethyl)cyclopropyl]methanol
CID 115454363
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 115454888
[1-[(2-methoxyethylamino)methyl]cyclopropyl]methanol
CID 115454729
[1-[(2-fluoroethylamino)methyl]cyclopropyl]methanol
CID 115454656
tert-butyl N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]carbamate
CID 115671394
[1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479291
[1-[(hexylamino)methyl]cyclopropyl]methanol
CID 115454400

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol (CID 115454323) is 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNCC1(CO)CC1.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is PKNVKMPLAQOJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2,7-12)5-11-6-10(8-13)3-4-10/h11-13H,3-8H2,1-2H3.
What are the key properties of 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol?
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115454323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).