N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid

C16H28N2O5 — CID 17053079

IUPACN-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid
SMILESC1=CCC(CNCCCN2CCOCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C14H26N2O.C2H2O4/c1-2-5-14(6-3-1)13-15-7-4-8-16-9-11-17-12-10-16;3-1(4)2(5)6/h1-2,14-15H,3-13H2;(H,3,4)(H,5,6)
InChIKeyIKUGJAVBKPZKJY-UHFFFAOYSA-N
MW328.41 g/mol
LogP0.81
Rot. Bonds6

About N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid

N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid (PubChem CID 17053079) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid
PubChem CID17053079
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid
SMILESC1=CCC(CNCCCN2CCOCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C14H26N2O.C2H2O4/c1-2-5-14(6-3-1)13-15-7-4-8-16-9-11-17-12-10-16;3-1(4)2(5)6/h1-2,14-15H,3-13H2;(H,3,4)(H,5,6)
InChIKeyIKUGJAVBKPZKJY-UHFFFAOYSA-N
XLogP0.81
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
CID 29080135
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide
CID 79394924
[2-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]methanol
CID 83960077
N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053091
3-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propan-1-amine
CID 107126651
N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939760
N-methyl-6-[(3-morpholin-4-ylpropylamino)methyl]-N-octadecylcyclohex-3-ene-1-carboxamide
CID 21266146
3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 93262389
3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine
CID 62386835
2-methyl-N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70938726
1-morpholin-4-yl-2-(3-morpholin-4-ylpropylamino)ethanone
CID 43091152

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid (CID 17053079) is N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid is C1=CCC(CNCCCN2CCOCC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid?
The InChIKey is IKUGJAVBKPZKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.C2H2O4/c1-2-5-14(6-3-1)13-15-7-4-8-16-9-11-17-12-10-16;3-1(4)2(5)6/h1-2,14-15H,3-13H2;(H,3,4)(H,5,6).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid?
N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid has a molecular weight of 328.41 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid is sourced from PubChem (CID 17053079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).