N-[[2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine

C14H29NO — CID 81024018

IUPACN-[[2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine
SMILESCCCOCC1CCCCC1CNC(C)C
InChIInChI=1S/C14H29NO/c1-4-9-16-11-14-8-6-5-7-13(14)10-15-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyBDYJRGAGJMRFGY-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds7

About N-[[2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine

N-[[2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 81024018) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[[2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine
PubChem CID81024018
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[[2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine
SMILESCCCOCC1CCCCC1CNC(C)C
InChIInChI=1S/C14H29NO/c1-4-9-16-11-14-8-6-5-7-13(14)10-15-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyBDYJRGAGJMRFGY-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
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-[[2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine (CID 81024018) is N-[[2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine is CCCOCC1CCCCC1CNC(C)C.
What is the InChIKey of N-[[2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is BDYJRGAGJMRFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-9-16-11-14-8-6-5-7-13(14)10-15-12(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of N-[[2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine?
N-[[2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81024018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).