1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol

C15H29NO3 — CID 60634305

IUPAC1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESOC(CNC1CCCCCC1)COCC1CCCO1
InChIInChI=1S/C15H29NO3/c17-14(11-18-12-15-8-5-9-19-15)10-16-13-6-3-1-2-4-7-13/h13-17H,1-12H2
InChIKeyCHNINSOFSCWZJK-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.86
Rot. Bonds7

About 1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol

1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol (PubChem CID 60634305) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
PubChem CID60634305
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESOC(CNC1CCCCCC1)COCC1CCCO1
InChIInChI=1S/C15H29NO3/c17-14(11-18-12-15-8-5-9-19-15)10-16-13-6-3-1-2-4-7-13/h13-17H,1-12H2
InChIKeyCHNINSOFSCWZJK-UHFFFAOYSA-N
XLogP1.86
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60970222
1-chloro-3-(oxan-2-ylmethoxy)propan-2-ol
CID 112560571
N-[2-(oxolan-2-ylmethoxy)propyl]cyclohexanamine
CID 62572342
1-(cycloheptylamino)-3-ethoxypropan-2-ol
CID 63933573
(2R)-1-[2-(2-hydroxyethoxy)ethylamino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 94562031
1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634131
3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol
CID 83177777
(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol
CID 100886577
(2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 129461201
1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60635542
1-(oxolan-2-ylmethoxy)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol
CID 61499940
N-[2-(oxolan-2-ylmethoxy)propyl]cyclopentanamine
CID 62572194

Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol (CID 60634305) is 1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol is OC(CNC1CCCCCC1)COCC1CCCO1.
What is the InChIKey of 1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The InChIKey is CHNINSOFSCWZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c17-14(11-18-12-15-8-5-9-19-15)10-16-13-6-3-1-2-4-7-13/h13-17H,1-12H2.
What are the key properties of 1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol?
1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol has a molecular weight of 271.40 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 60634305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).