1-[[2-(diethylamino)ethylamino]methyl]cycloheptan-1-ol

C14H30N2O — CID 60710659

IUPAC1-[[2-(diethylamino)ethylamino]methyl]cycloheptan-1-ol
SMILESCCN(CC)CCNCC1(O)CCCCCC1
InChIInChI=1S/C14H30N2O/c1-3-16(4-2)12-11-15-13-14(17)9-7-5-6-8-10-14/h15,17H,3-13H2,1-2H3
InChIKeyYXLYDYJILUNFRV-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.00
Rot. Bonds7

About 1-[[2-(diethylamino)ethylamino]methyl]cycloheptan-1-ol

1-[[2-(diethylamino)ethylamino]methyl]cycloheptan-1-ol (PubChem CID 60710659) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[[2-(diethylamino)ethylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[2-(diethylamino)ethylamino]methyl]cycloheptan-1-ol
PubChem CID60710659
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-[[2-(diethylamino)ethylamino]methyl]cycloheptan-1-ol
SMILESCCN(CC)CCNCC1(O)CCCCCC1
InChIInChI=1S/C14H30N2O/c1-3-16(4-2)12-11-15-13-14(17)9-7-5-6-8-10-14/h15,17H,3-13H2,1-2H3
InChIKeyYXLYDYJILUNFRV-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(dimethylamino)ethylamino]methyl]cyclopentan-1-ol
CID 65109208
1-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]cycloheptan-1-ol
CID 63318215
1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol
CID 65211357
1-[(octylamino)methyl]cyclohexan-1-ol
CID 65106974
1-[(2-propylsulfonylethylamino)methyl]cyclohexan-1-ol
CID 106723861
1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837
1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
CID 65122781
1-[(2-methoxyethylamino)methyl]cyclopentan-1-ol
CID 62773566
2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071440
1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol
CID 115664087
N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 55194825
1-[[1-(diethylamino)propan-2-ylamino]methyl]cyclopentan-1-ol
CID 65211000

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(diethylamino)ethylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[2-(diethylamino)ethylamino]methyl]cycloheptan-1-ol (CID 60710659) is 1-[[2-(diethylamino)ethylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[2-(diethylamino)ethylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[2-(diethylamino)ethylamino]methyl]cycloheptan-1-ol is CCN(CC)CCNCC1(O)CCCCCC1.
What is the InChIKey of 1-[[2-(diethylamino)ethylamino]methyl]cycloheptan-1-ol?
The InChIKey is YXLYDYJILUNFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-16(4-2)12-11-15-13-14(17)9-7-5-6-8-10-14/h15,17H,3-13H2,1-2H3.
What are the key properties of 1-[[2-(diethylamino)ethylamino]methyl]cycloheptan-1-ol?
1-[[2-(diethylamino)ethylamino]methyl]cycloheptan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(diethylamino)ethylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 60710659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).