N-but-2-ynoxycyclohexen-1-amine

C10H15NO — CID 91804644

IUPACN-but-2-ynoxycyclohexen-1-amine
SMILESCC#CCONC1=CCCCC1
InChIInChI=1S/C10H15NO/c1-2-3-9-12-11-10-7-5-4-6-8-10/h7,11H,4-6,8-9H2,1H3
InChIKeyYDSHYFSVMONTNC-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.99
Rot. Bonds3

About N-but-2-ynoxycyclohexen-1-amine

N-but-2-ynoxycyclohexen-1-amine (PubChem CID 91804644) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-but-2-ynoxycyclohexen-1-amine.

Molecular Properties

Compound NameN-but-2-ynoxycyclohexen-1-amine
PubChem CID91804644
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-but-2-ynoxycyclohexen-1-amine
SMILESCC#CCONC1=CCCCC1
InChIInChI=1S/C10H15NO/c1-2-3-9-12-11-10-7-5-4-6-8-10/h7,11H,4-6,8-9H2,1H3
InChIKeyYDSHYFSVMONTNC-UHFFFAOYSA-N
XLogP1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-di(cyclohexen-1-yl)hydrazine
CID 162410635
N-[[4,6-bis[(cycloocten-1-ylamino)oxy]-1,3,5-triazin-2-yl]oxy]cycloocten-1-amine
CID 90930542
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]cyclohexen-1-amine
CID 117059096
N-trimethylsilyloxycyclopenten-1-amine
CID 91482678
1-(cyclohepten-1-yl)-2-methylhydrazine
CID 19049041
(1E)-N-butylcycloocten-1-amine
CID 89153703
2-(cyclohexen-1-ylamino)ethanol
CID 54095999
N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclotridecen-1-amine
CID 91521077
N-[[4-chloro-6-(cyclotridecen-1-ylamino)oxy-1,3,5-triazin-2-yl]oxy]cyclotridecen-1-amine
CID 91221238
N-(cyclopenten-1-yl)but-2-ynamide
CID 140985868
(cyclohexen-1-ylamino) benzenesulfonate
CID 91196759
N-ethenylcyclohexen-1-amine
CID 67050822

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynoxycyclohexen-1-amine?
The IUPAC name of N-but-2-ynoxycyclohexen-1-amine (CID 91804644) is N-but-2-ynoxycyclohexen-1-amine.
What is the SMILES notation for N-but-2-ynoxycyclohexen-1-amine?
The canonical SMILES for N-but-2-ynoxycyclohexen-1-amine is CC#CCONC1=CCCCC1.
What is the InChIKey of N-but-2-ynoxycyclohexen-1-amine?
The InChIKey is YDSHYFSVMONTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-9-12-11-10-7-5-4-6-8-10/h7,11H,4-6,8-9H2,1H3.
What are the key properties of N-but-2-ynoxycyclohexen-1-amine?
N-but-2-ynoxycyclohexen-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynoxycyclohexen-1-amine is sourced from PubChem (CID 91804644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).