[4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol

C17H34N2O2 — CID 81213477

IUPAC[4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol
SMILESCCCNCC1(CN2CCOC(CO)C2)CCCCCC1
InChIInChI=1S/C17H34N2O2/c1-2-9-18-14-17(7-5-3-4-6-8-17)15-19-10-11-21-16(12-19)13-20/h16,18,20H,2-15H2,1H3
InChIKeyURPOKDMLRDSENF-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.02
Rot. Bonds7

About [4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol

[4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol (PubChem CID 81213477) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is [4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol
PubChem CID81213477
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name[4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol
SMILESCCCNCC1(CN2CCOC(CO)C2)CCCCCC1
InChIInChI=1S/C17H34N2O2/c1-2-9-18-14-17(7-5-3-4-6-8-17)15-19-10-11-21-16(12-19)13-20/h16,18,20H,2-15H2,1H3
InChIKeyURPOKDMLRDSENF-UHFFFAOYSA-N
XLogP2.02
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol with MolForge

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Related Compounds

N-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 62257159
[4-[[1-(hydroxymethyl)cyclopentyl]methyl]morpholin-2-yl]methanol
CID 81212944
N-[[1-[(2-methylmorpholin-4-yl)methyl]cyclohexyl]methyl]ethanamine
CID 55051513
1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967239
N-[[1-[(3-methylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 55051948
1-[[2-(hydroxymethyl)morpholin-4-yl]methyl]cyclohexane-1-carbaldehyde
CID 81212922
[4-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]morpholin-2-yl]methanol
CID 81214333
[4-[[4-(hydroxymethyl)oxan-4-yl]methyl]morpholin-2-yl]methanol
CID 81214239
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 102967363
N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine
CID 64581384
N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 103538858
N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 65281727

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol (CID 81213477) is [4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol is CCCNCC1(CN2CCOC(CO)C2)CCCCCC1.
What is the InChIKey of [4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol?
The InChIKey is URPOKDMLRDSENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-2-9-18-14-17(7-5-3-4-6-8-17)15-19-10-11-21-16(12-19)13-20/h16,18,20H,2-15H2,1H3.
What are the key properties of [4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol?
[4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol has a molecular weight of 298.47 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 81213477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).