1-(2-aminoethyl)cycloheptan-1-ol;hydrochloride

C9H20ClNO — CID 112756544

IUPAC1-(2-aminoethyl)cycloheptan-1-ol;hydrochloride
SMILESCl.NCCC1(O)CCCCCC1
InChIInChI=1S/C9H19NO.ClH/c10-8-7-9(11)5-3-1-2-4-6-9;/h11H,1-8,10H2;1H
InChIKeyZMFHWJYPWDNNSX-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.84
Rot. Bonds2

About 1-(2-aminoethyl)cycloheptan-1-ol;hydrochloride

1-(2-aminoethyl)cycloheptan-1-ol;hydrochloride (PubChem CID 112756544) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 1-(2-aminoethyl)cycloheptan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)cycloheptan-1-ol;hydrochloride
PubChem CID112756544
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name1-(2-aminoethyl)cycloheptan-1-ol;hydrochloride
SMILESCl.NCCC1(O)CCCCCC1
InChIInChI=1S/C9H19NO.ClH/c10-8-7-9(11)5-3-1-2-4-6-9;/h11H,1-8,10H2;1H
InChIKeyZMFHWJYPWDNNSX-UHFFFAOYSA-N
XLogP1.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Aminomethyl)cycloheptan-1-ol
CID 18438648
1-(Aminomethyl)cycloundecan-1-ol
CID 44272311
1-(Aminomethyl)cycloheptanol hydrochloride
CID 18438647
1-(2-Aminoethyl)cyclohexan-1-ol hydrochloride
CID 67744722
Cyclododecanol, 1-aminomethyl-
CID 533851
Ethyloctyl monoethanolamine
CID 81873207
1-(2-Aminoethyl)cyclohexanol
CID 13371484
11-Amino-2-methylundecan-2-ol
CID 15531485
1-(2-Aminoethyl)cycloheptan-1-ol
CID 79128333
4-Amino-2-cycloheptyl-1,1,1-trifluorobutan-2-ol
CID 115043072
1-(Aminomethyl)-2-fluorocycloheptan-1-ol
CID 129939446
(1S,2S)-2-(aminomethyl)cycloheptan-1-ol
CID 2725084

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)cycloheptan-1-ol;hydrochloride?
The IUPAC name of 1-(2-aminoethyl)cycloheptan-1-ol;hydrochloride (CID 112756544) is 1-(2-aminoethyl)cycloheptan-1-ol;hydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)cycloheptan-1-ol;hydrochloride?
The canonical SMILES for 1-(2-aminoethyl)cycloheptan-1-ol;hydrochloride is Cl.NCCC1(O)CCCCCC1.
What is the InChIKey of 1-(2-aminoethyl)cycloheptan-1-ol;hydrochloride?
The InChIKey is ZMFHWJYPWDNNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c10-8-7-9(11)5-3-1-2-4-6-9;/h11H,1-8,10H2;1H.
What are the key properties of 1-(2-aminoethyl)cycloheptan-1-ol;hydrochloride?
1-(2-aminoethyl)cycloheptan-1-ol;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)cycloheptan-1-ol;hydrochloride is sourced from PubChem (CID 112756544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).