N-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine

C15H28N2O — CID 79554753

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine
SMILESC(CNCC1CC2CCC1C2)CN1CCOCC1
InChIInChI=1S/C15H28N2O/c1(5-17-6-8-18-9-7-17)4-16-12-15-11-13-2-3-14(15)10-13/h13-16H,1-12H2
InChIKeyBEBOFZWAJPKSCY-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.73
Rot. Bonds6

About N-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine (PubChem CID 79554753) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine
PubChem CID79554753
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine
SMILESC(CNCC1CC2CCC1C2)CN1CCOCC1
InChIInChI=1S/C15H28N2O/c1(5-17-6-8-18-9-7-17)4-16-12-15-11-13-2-3-14(15)10-13/h13-16H,1-12H2
InChIKeyBEBOFZWAJPKSCY-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine
CID 79554930
[2-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]methanol
CID 83960077
(1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7079828
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 63683145
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine
CID 107319933
3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 93262389
N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62655431
N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 79038222
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 54579772
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(oxan-4-yl)acetamide
CID 55232432
ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 170595450
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 104693936

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine (CID 79554753) is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine is C(CNCC1CC2CCC1C2)CN1CCOCC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine?
The InChIKey is BEBOFZWAJPKSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1(5-17-6-8-18-9-7-17)4-16-12-15-11-13-2-3-14(15)10-13/h13-16H,1-12H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 79554753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).