N-(2-cyclohexyloxyethyl)heptan-3-amine

C15H31NO — CID 63946956

IUPACN-(2-cyclohexyloxyethyl)heptan-3-amine
SMILESCCCCC(CC)NCCOC1CCCCC1
InChIInChI=1S/C15H31NO/c1-3-5-9-14(4-2)16-12-13-17-15-10-7-6-8-11-15/h14-16H,3-13H2,1-2H3
InChIKeyNWIPIJPSOAKRPZ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.89
Rot. Bonds9

About N-(2-cyclohexyloxyethyl)heptan-3-amine

N-(2-cyclohexyloxyethyl)heptan-3-amine (PubChem CID 63946956) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)heptan-3-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)heptan-3-amine
PubChem CID63946956
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-(2-cyclohexyloxyethyl)heptan-3-amine
SMILESCCCCC(CC)NCCOC1CCCCC1
InChIInChI=1S/C15H31NO/c1-3-5-9-14(4-2)16-12-13-17-15-10-7-6-8-11-15/h14-16H,3-13H2,1-2H3
InChIKeyNWIPIJPSOAKRPZ-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.89
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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Related Compounds

N-(2-cyclopentyloxyethyl)octan-2-amine
CID 55259713
6-cyclohexyloxy-N-methylhexan-3-amine
CID 106800628
N-(2-cyclopentylethyl)heptan-3-amine
CID 63945725
N-(2-cycloheptyloxyethyl)pentan-1-amine
CID 62584222
N-(2-butoxyethyl)hexan-3-amine
CID 62118568
N-(2-cyclopentyloxyethyl)hexan-1-amine
CID 62567442
butoxycyclobutane
CID 54057236
N-butyl-2-(2-cyclopentyloxyethylamino)propanamide
CID 55261648
(2S)-2-amino-N-(2-cyclopentyloxyethyl)hexanamide
CID 98585845
N-(2-butoxyethyl)pentan-3-amine
CID 61168899
N-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine
CID 43104261
octoxycyclopentane
CID 14691467

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)heptan-3-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)heptan-3-amine (CID 63946956) is N-(2-cyclohexyloxyethyl)heptan-3-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)heptan-3-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)heptan-3-amine is CCCCC(CC)NCCOC1CCCCC1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)heptan-3-amine?
The InChIKey is NWIPIJPSOAKRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-5-9-14(4-2)16-12-13-17-15-10-7-6-8-11-15/h14-16H,3-13H2,1-2H3.
What are the key properties of N-(2-cyclohexyloxyethyl)heptan-3-amine?
N-(2-cyclohexyloxyethyl)heptan-3-amine has a molecular weight of 241.42 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)heptan-3-amine is sourced from PubChem (CID 63946956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).