3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

C20H35N3O2 — CID 119896456

IUPAC3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCC1(CN2CCOCC2)CCCCC1
InChIInChI=1S/C20H35N3O2/c21-18-16-5-4-15(12-16)17(18)19(24)22-13-20(6-2-1-3-7-20)14-23-8-10-25-11-9-23/h15-18H,1-14,21H2,(H,22,24)
InChIKeyQGKANLVDWOFNPL-UHFFFAOYSA-N
MW349.52 g/mol
LogP1.76
Rot. Bonds5

About 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119896456) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119896456
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCC1(CN2CCOCC2)CCCCC1
InChIInChI=1S/C20H35N3O2/c21-18-16-5-4-15(12-16)17(18)19(24)22-13-20(6-2-1-3-7-20)14-23-8-10-25-11-9-23/h15-18H,1-14,21H2,(H,22,24)
InChIKeyQGKANLVDWOFNPL-UHFFFAOYSA-N
XLogP1.76
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

(3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide
CID 96569943
N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]oxolane-2-carboxamide
CID 91957399
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]piperidine-3-carboxamide
CID 119896432
3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119822130
2-amino-2-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]propanamide
CID 119896444
1-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445947
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119830078
3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119830190
3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide
CID 119896490
3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119841278
3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 113267120
1-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-3-prop-2-ynylurea
CID 71975516

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119896456) is 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NCC1(CN2CCOCC2)CCCCC1.
What is the InChIKey of 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QGKANLVDWOFNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c21-18-16-5-4-15(12-16)17(18)19(24)22-13-20(6-2-1-3-7-20)14-23-8-10-25-11-9-23/h15-18H,1-14,21H2,(H,22,24).
What are the key properties of 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 349.52 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119896456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).