[1-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopropyl]methanol

C10H21NO3 — CID 115454495

IUPAC[1-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopropyl]methanol
SMILESCOC(OC)C(C)NCC1(CO)CC1
InChIInChI=1S/C10H21NO3/c1-8(9(13-2)14-3)11-6-10(7-12)4-5-10/h8-9,11-12H,4-7H2,1-3H3
InChIKeyQBTWCEOAMTVICF-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.36
Rot. Bonds7

About [1-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopropyl]methanol

[1-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopropyl]methanol (PubChem CID 115454495) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is [1-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopropyl]methanol
PubChem CID115454495
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name[1-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopropyl]methanol
SMILESCOC(OC)C(C)NCC1(CO)CC1
InChIInChI=1S/C10H21NO3/c1-8(9(13-2)14-3)11-6-10(7-12)4-5-10/h8-9,11-12H,4-7H2,1-3H3
InChIKeyQBTWCEOAMTVICF-UHFFFAOYSA-N
XLogP0.36
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 148887826
[1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol
CID 81344009
[1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol
CID 81419360
[1-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]cyclopropyl]methanol
CID 81343057
ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate
CID 115454875
1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
CID 104759779
3-methoxy-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]butan-2-amine
CID 115892583
[1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol
CID 115358645
4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol
CID 115454338
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide
CID 113313239
[1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol
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[1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol
CID 79479823

Frequently Asked Questions

What is the IUPAC name of [1-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopropyl]methanol (CID 115454495) is [1-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopropyl]methanol is COC(OC)C(C)NCC1(CO)CC1.
What is the InChIKey of [1-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopropyl]methanol?
The InChIKey is QBTWCEOAMTVICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(9(13-2)14-3)11-6-10(7-12)4-5-10/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of [1-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopropyl]methanol?
[1-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopropyl]methanol has a molecular weight of 203.28 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 115454495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).