N-(prop-1-ynoxymethyl)cyclohexanamine

C10H17NO — CID 70550699

IUPACN-(prop-1-ynoxymethyl)cyclohexanamine
SMILESCC#COCNC1CCCCC1
InChIInChI=1S/C10H17NO/c1-2-8-12-9-11-10-6-4-3-5-7-10/h10-11H,3-7,9H2,1H3
InChIKeyNJECNYKYKQKLLM-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.86
Rot. Bonds3

About N-(prop-1-ynoxymethyl)cyclohexanamine

N-(prop-1-ynoxymethyl)cyclohexanamine (PubChem CID 70550699) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(prop-1-ynoxymethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(prop-1-ynoxymethyl)cyclohexanamine
PubChem CID70550699
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(prop-1-ynoxymethyl)cyclohexanamine
SMILESCC#COCNC1CCCCC1
InChIInChI=1S/C10H17NO/c1-2-8-12-9-11-10-6-4-3-5-7-10/h10-11H,3-7,9H2,1H3
InChIKeyNJECNYKYKQKLLM-UHFFFAOYSA-N
XLogP1.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(prop-1-ynoxymethyl)cyclohexanamine?
The IUPAC name of N-(prop-1-ynoxymethyl)cyclohexanamine (CID 70550699) is N-(prop-1-ynoxymethyl)cyclohexanamine.
What is the SMILES notation for N-(prop-1-ynoxymethyl)cyclohexanamine?
The canonical SMILES for N-(prop-1-ynoxymethyl)cyclohexanamine is CC#COCNC1CCCCC1.
What is the InChIKey of N-(prop-1-ynoxymethyl)cyclohexanamine?
The InChIKey is NJECNYKYKQKLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-8-12-9-11-10-6-4-3-5-7-10/h10-11H,3-7,9H2,1H3.
What are the key properties of N-(prop-1-ynoxymethyl)cyclohexanamine?
N-(prop-1-ynoxymethyl)cyclohexanamine has a molecular weight of 167.25 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(prop-1-ynoxymethyl)cyclohexanamine is sourced from PubChem (CID 70550699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).