2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol

C14H30N2O — CID 103190447

IUPAC2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol
SMILESCCN(C(C)CN(C)C)C1CCCCCC1O
InChIInChI=1S/C14H30N2O/c1-5-16(12(2)11-15(3)4)13-9-7-6-8-10-14(13)17/h12-14,17H,5-11H2,1-4H3
InChIKeyFANIBSSCJAJZEI-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.95
Rot. Bonds5

About 2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol

2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol (PubChem CID 103190447) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol
PubChem CID103190447
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol
SMILESCCN(C(C)CN(C)C)C1CCCCCC1O
InChIInChI=1S/C14H30N2O/c1-5-16(12(2)11-15(3)4)13-9-7-6-8-10-14(13)17/h12-14,17H,5-11H2,1-4H3
InChIKeyFANIBSSCJAJZEI-UHFFFAOYSA-N
XLogP1.95
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[butan-2-yl(ethyl)amino]cyclohexan-1-ol
CID 102731869
2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol
CID 63470374
2-[ethyl(propan-2-yl)amino]cyclohexan-1-ol
CID 60886338
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine
CID 103188400
2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid
CID 103191967
2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187895
2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol
CID 63472662
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine
CID 103188428
2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile
CID 103188900
2-[butan-2-yl(butyl)amino]cyclooctan-1-ol
CID 63473248
trans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol
CID 102734588
2-[(2-hydroxycyclohexyl)-methylamino]cycloheptan-1-ol
CID 102635791

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol?
The IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol (CID 103190447) is 2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol is CCN(C(C)CN(C)C)C1CCCCCC1O.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol?
The InChIKey is FANIBSSCJAJZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-16(12(2)11-15(3)4)13-9-7-6-8-10-14(13)17/h12-14,17H,5-11H2,1-4H3.
What are the key properties of 2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol?
2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol is sourced from PubChem (CID 103190447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).