2-[1-(aminomethyl)cyclohexyl]-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C19H29N3O — CID 122081100

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESNCC1(CC(=O)NC2CCCc3cc(N)ccc32)CCCCC1
InChIInChI=1S/C19H29N3O/c20-13-19(9-2-1-3-10-19)12-18(23)22-17-6-4-5-14-11-15(21)7-8-16(14)17/h7-8,11,17H,1-6,9-10,12-13,20-21H2,(H,22,23)
InChIKeyKNIUFGWWQPPLFT-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.06
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 122081100) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID122081100
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESNCC1(CC(=O)NC2CCCc3cc(N)ccc32)CCCCC1
InChIInChI=1S/C19H29N3O/c20-13-19(9-2-1-3-10-19)12-18(23)22-17-6-4-5-14-11-15(21)7-8-16(14)17/h7-8,11,17H,1-6,9-10,12-13,20-21H2,(H,22,23)
InChIKeyKNIUFGWWQPPLFT-UHFFFAOYSA-N
XLogP3.06
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide
CID 116649806
2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 81172884
4-(aminomethyl)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 122081059
3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea
CID 116650161
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylacetamide
CID 116649861
(Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide
CID 116649737
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide
CID 116649753
2-(3-aminophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 62499039
2-(1-hydroxycyclopentyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111430151
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide
CID 79740816
methyl 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]acetate
CID 116650191
3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
CID 122081064

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 122081100) is 2-[1-(aminomethyl)cyclohexyl]-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is NCC1(CC(=O)NC2CCCc3cc(N)ccc32)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is KNIUFGWWQPPLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c20-13-19(9-2-1-3-10-19)12-18(23)22-17-6-4-5-14-11-15(21)7-8-16(14)17/h7-8,11,17H,1-6,9-10,12-13,20-21H2,(H,22,23).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 315.46 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 122081100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).