3-aminopropyl-[(4Z)-cyclooct-4-en-1-yl]carbamic acid;hydrochloride

C12H23ClN2O2 — CID 176888816

IUPAC3-aminopropyl-[(4Z)-cyclooct-4-en-1-yl]carbamic acid;hydrochloride
SMILESCl.NCCCN(C(=O)O)C1CC/C=C\CCC1
InChIInChI=1S/C12H22N2O2.ClH/c13-9-6-10-14(12(15)16)11-7-4-2-1-3-5-8-11;/h1-2,11H,3-10,13H2,(H,15,16);1H/b2-1-;
InChIKeyRZQKXYDQTGPKJP-ODZAUARKSA-N
MW262.78 g/mol
LogP2.63
Rot. Bonds4

About 3-aminopropyl-[(4Z)-cyclooct-4-en-1-yl]carbamic acid;hydrochloride

3-aminopropyl-[(4Z)-cyclooct-4-en-1-yl]carbamic acid;hydrochloride (PubChem CID 176888816) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 3-aminopropyl-[(4Z)-cyclooct-4-en-1-yl]carbamic acid;hydrochloride.

Molecular Properties

Compound Name3-aminopropyl-[(4Z)-cyclooct-4-en-1-yl]carbamic acid;hydrochloride
PubChem CID176888816
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC Name3-aminopropyl-[(4Z)-cyclooct-4-en-1-yl]carbamic acid;hydrochloride
SMILESCl.NCCCN(C(=O)O)C1CC/C=C\CCC1
InChIInChI=1S/C12H22N2O2.ClH/c13-9-6-10-14(12(15)16)11-7-4-2-1-3-5-8-11;/h1-2,11H,3-10,13H2,(H,15,16);1H/b2-1-;
InChIKeyRZQKXYDQTGPKJP-ODZAUARKSA-N
XLogP2.63
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide
CID 62586831
N-(3-aminopropyl)-N-cyclopentyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476059
2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid
CID 70554590
3-amino-N-(3-aminopropyl)-N-cyclohexylpropanamide
CID 134484716
N-(3-aminopropyl)-N-cyclobutyloxane-4-carboxamide
CID 102873819
N-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 102873908
1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea
CID 79153945
N-(3-aminopropyl)-N-cyclobutyl-4,4-difluorocyclohexane-1-carboxamide
CID 102873906
1-(3-aminopropyl)-1-cyclopentyl-3-phenylurea
CID 43319508
N-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide
CID 102873861
N-(3-aminopropyl)-N-cyclohexyl-2,2-dimethylpropanamide
CID 43136880
5-amino-N-cyclobutyl-N-(3-hydroxypropyl)pentanamide
CID 102861717

Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl-[(4Z)-cyclooct-4-en-1-yl]carbamic acid;hydrochloride?
The IUPAC name of 3-aminopropyl-[(4Z)-cyclooct-4-en-1-yl]carbamic acid;hydrochloride (CID 176888816) is 3-aminopropyl-[(4Z)-cyclooct-4-en-1-yl]carbamic acid;hydrochloride.
What is the SMILES notation for 3-aminopropyl-[(4Z)-cyclooct-4-en-1-yl]carbamic acid;hydrochloride?
The canonical SMILES for 3-aminopropyl-[(4Z)-cyclooct-4-en-1-yl]carbamic acid;hydrochloride is Cl.NCCCN(C(=O)O)C1CC/C=C\CCC1.
What is the InChIKey of 3-aminopropyl-[(4Z)-cyclooct-4-en-1-yl]carbamic acid;hydrochloride?
The InChIKey is RZQKXYDQTGPKJP-ODZAUARKSA-N. The full InChI is InChI=1S/C12H22N2O2.ClH/c13-9-6-10-14(12(15)16)11-7-4-2-1-3-5-8-11;/h1-2,11H,3-10,13H2,(H,15,16);1H/b2-1-;.
What are the key properties of 3-aminopropyl-[(4Z)-cyclooct-4-en-1-yl]carbamic acid;hydrochloride?
3-aminopropyl-[(4Z)-cyclooct-4-en-1-yl]carbamic acid;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl-[(4Z)-cyclooct-4-en-1-yl]carbamic acid;hydrochloride is sourced from PubChem (CID 176888816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).