N-(3-methoxypropyl)cyclohexanamine;molecular hydrogen

C10H23NO — CID 142143741

IUPACN-(3-methoxypropyl)cyclohexanamine;molecular hydrogen
SMILESCOCCCNC1CCCCC1.[H][H]
InChIInChI=1S/C10H21NO.H2/c1-12-9-5-8-11-10-6-3-2-4-7-10;/h10-11H,2-9H2,1H3;1H
InChIKeyANESOXYOPXWAPM-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.19
Rot. Bonds5

About N-(3-methoxypropyl)cyclohexanamine;molecular hydrogen

N-(3-methoxypropyl)cyclohexanamine;molecular hydrogen (PubChem CID 142143741) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-(3-methoxypropyl)cyclohexanamine;molecular hydrogen.

Molecular Properties

Compound NameN-(3-methoxypropyl)cyclohexanamine;molecular hydrogen
PubChem CID142143741
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-(3-methoxypropyl)cyclohexanamine;molecular hydrogen
SMILESCOCCCNC1CCCCC1.[H][H]
InChIInChI=1S/C10H21NO.H2/c1-12-9-5-8-11-10-6-3-2-4-7-10;/h10-11H,2-9H2,1H3;1H
InChIKeyANESOXYOPXWAPM-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)cyclohexanamine;molecular hydrogen?
The IUPAC name of N-(3-methoxypropyl)cyclohexanamine;molecular hydrogen (CID 142143741) is N-(3-methoxypropyl)cyclohexanamine;molecular hydrogen.
What is the SMILES notation for N-(3-methoxypropyl)cyclohexanamine;molecular hydrogen?
The canonical SMILES for N-(3-methoxypropyl)cyclohexanamine;molecular hydrogen is COCCCNC1CCCCC1.[H][H].
What is the InChIKey of N-(3-methoxypropyl)cyclohexanamine;molecular hydrogen?
The InChIKey is ANESOXYOPXWAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.H2/c1-12-9-5-8-11-10-6-3-2-4-7-10;/h10-11H,2-9H2,1H3;1H.
What are the key properties of N-(3-methoxypropyl)cyclohexanamine;molecular hydrogen?
N-(3-methoxypropyl)cyclohexanamine;molecular hydrogen has a molecular weight of 173.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)cyclohexanamine;molecular hydrogen is sourced from PubChem (CID 142143741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).