1-[(1-cyclopropylcyclopropyl)methylamino]-3-(2-methylpropoxy)propan-2-ol

C14H27NO2 — CID 114095925

IUPAC1-[(1-cyclopropylcyclopropyl)methylamino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CNCC1(C2CC2)CC1
InChIInChI=1S/C14H27NO2/c1-11(2)8-17-9-13(16)7-15-10-14(5-6-14)12-3-4-12/h11-13,15-16H,3-10H2,1-2H3
InChIKeyQDTSRHRIMMMAFY-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.80
Rot. Bonds9

About 1-[(1-cyclopropylcyclopropyl)methylamino]-3-(2-methylpropoxy)propan-2-ol

1-[(1-cyclopropylcyclopropyl)methylamino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 114095925) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[(1-cyclopropylcyclopropyl)methylamino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1-cyclopropylcyclopropyl)methylamino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID114095925
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[(1-cyclopropylcyclopropyl)methylamino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CNCC1(C2CC2)CC1
InChIInChI=1S/C14H27NO2/c1-11(2)8-17-9-13(16)7-15-10-14(5-6-14)12-3-4-12/h11-13,15-16H,3-10H2,1-2H3
InChIKeyQDTSRHRIMMMAFY-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol
CID 59264316
1-[(6-Amino-2,4,4-trimethylhexyl)amino]-3-methoxypropan-2-ol
CID 59872347
Ethane;1-(2-methanidylpropoxy)-3-(3,3,4,4-tetramethylpentylamino)propan-2-ol;rutherfordium
CID 145528279
1-(Cyclopropylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 54940846
1-[(1-Methylcyclopentyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 55260056
1-[(1-Methylcyclopentyl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 55260442
1-(2-Ethoxyethoxy)-3-[(1-methylcyclopentyl)methylamino]propan-2-ol
CID 55260829
[3-(Cyclopropylmethoxy)-2-hydroxypropyl](5-methylhexan-2-yl)amine
CID 60634538
1-(Cyclopropylmethoxy)-3-(hexylamino)propan-2-ol
CID 60635365
1-(Dicyclopropylmethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60713305
1-(Dicyclopropylmethylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60713319
1-(Dicyclopropylmethylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60713380

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylcyclopropyl)methylamino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[(1-cyclopropylcyclopropyl)methylamino]-3-(2-methylpropoxy)propan-2-ol (CID 114095925) is 1-[(1-cyclopropylcyclopropyl)methylamino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[(1-cyclopropylcyclopropyl)methylamino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[(1-cyclopropylcyclopropyl)methylamino]-3-(2-methylpropoxy)propan-2-ol is CC(C)COCC(O)CNCC1(C2CC2)CC1.
What is the InChIKey of 1-[(1-cyclopropylcyclopropyl)methylamino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is QDTSRHRIMMMAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)8-17-9-13(16)7-15-10-14(5-6-14)12-3-4-12/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of 1-[(1-cyclopropylcyclopropyl)methylamino]-3-(2-methylpropoxy)propan-2-ol?
1-[(1-cyclopropylcyclopropyl)methylamino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 241.37 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylcyclopropyl)methylamino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 114095925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).