1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol

C12H25NO3 — CID 106190470

IUPAC1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol
SMILESCOCC(CO)NCC1(O)CCCCCC1
InChIInChI=1S/C12H25NO3/c1-16-9-11(8-14)13-10-12(15)6-4-2-3-5-7-12/h11,13-15H,2-10H2,1H3
InChIKeyDKZCOLNPQVTIKV-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.67
Rot. Bonds6

About 1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol

1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol (PubChem CID 106190470) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol
PubChem CID106190470
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol
SMILESCOCC(CO)NCC1(O)CCCCCC1
InChIInChI=1S/C12H25NO3/c1-16-9-11(8-14)13-10-12(15)6-4-2-3-5-7-12/h11,13-15H,2-10H2,1H3
InChIKeyDKZCOLNPQVTIKV-UHFFFAOYSA-N
XLogP0.67
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methoxypropan-2-ylamino)methyl]cyclopentan-1-ol
CID 65107675
1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol
CID 64604658
1-[[(1-hydroxy-3-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexan-1-ol
CID 102274740
1-[(hex-5-yn-3-ylamino)methyl]cyclohexan-1-ol
CID 115663853
1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea
CID 111439142
2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid
CID 103268359
[1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol
CID 115358645
1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol
CID 115692707
1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea
CID 111439144
2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65123309
1-[[(3-methoxy-2-methylpropyl)amino]methyl]cyclopentan-1-ol
CID 65210997
1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol
CID 130502696

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol (CID 106190470) is 1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol is COCC(CO)NCC1(O)CCCCCC1.
What is the InChIKey of 1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol?
The InChIKey is DKZCOLNPQVTIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-16-9-11(8-14)13-10-12(15)6-4-2-3-5-7-12/h11,13-15H,2-10H2,1H3.
What are the key properties of 1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol?
1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 106190470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).