2-amino-N-propan-2-ylacetamide;ethane;pyrrolidine-1-carbaldehyde;1,2,3,4-tetrahydronaphthalen-1-amine

C22H40N4O2 — CID 143447869

IUPAC2-amino-N-propan-2-ylacetamide;ethane;pyrrolidine-1-carbaldehyde;1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC.CC(C)NC(=O)CN.NC1CCCc2ccccc21.O=CN1CCCC1
InChIInChI=1S/C10H13N.C5H12N2O.C5H9NO.C2H6/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-4(2)7-5(8)3-6;7-5-6-3-1-2-4-6;1-2/h1-2,4,6,10H,3,5,7,11H2;4H,3,6H2,1-2H3,(H,7,8);5H,1-4H2;1-2H3
InChIKeyIBBVSXSGMBTUPP-UHFFFAOYSA-N
MW392.59 g/mol
LogP2.76
Rot. Bonds3

About 2-amino-N-propan-2-ylacetamide;ethane;pyrrolidine-1-carbaldehyde;1,2,3,4-tetrahydronaphthalen-1-amine

2-amino-N-propan-2-ylacetamide;ethane;pyrrolidine-1-carbaldehyde;1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 143447869) has the molecular formula C22H40N4O2 and a molecular weight of 392.59 g/mol. Its IUPAC name is 2-amino-N-propan-2-ylacetamide;ethane;pyrrolidine-1-carbaldehyde;1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-amino-N-propan-2-ylacetamide;ethane;pyrrolidine-1-carbaldehyde;1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID143447869
Molecular FormulaC22H40N4O2
Molecular Weight392.59 g/mol
Exact Mass392.32
IUPAC Name2-amino-N-propan-2-ylacetamide;ethane;pyrrolidine-1-carbaldehyde;1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC.CC(C)NC(=O)CN.NC1CCCc2ccccc21.O=CN1CCCC1
InChIInChI=1S/C10H13N.C5H12N2O.C5H9NO.C2H6/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-4(2)7-5(8)3-6;7-5-6-3-1-2-4-6;1-2/h1-2,4,6,10H,3,5,7,11H2;4H,3,6H2,1-2H3,(H,7,8);5H,1-4H2;1-2H3
InChIKeyIBBVSXSGMBTUPP-UHFFFAOYSA-N
XLogP2.76
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485
2-amino-N-[1-(2,4-dimethylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide
CID 143537765
1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 142874609
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 140759820
(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 40572494
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9049425
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide
CID 111333591
4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 81076134
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247593
1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116556095

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propan-2-ylacetamide;ethane;pyrrolidine-1-carbaldehyde;1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-amino-N-propan-2-ylacetamide;ethane;pyrrolidine-1-carbaldehyde;1,2,3,4-tetrahydronaphthalen-1-amine (CID 143447869) is 2-amino-N-propan-2-ylacetamide;ethane;pyrrolidine-1-carbaldehyde;1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-amino-N-propan-2-ylacetamide;ethane;pyrrolidine-1-carbaldehyde;1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-amino-N-propan-2-ylacetamide;ethane;pyrrolidine-1-carbaldehyde;1,2,3,4-tetrahydronaphthalen-1-amine is CC.CC(C)NC(=O)CN.NC1CCCc2ccccc21.O=CN1CCCC1.
What is the InChIKey of 2-amino-N-propan-2-ylacetamide;ethane;pyrrolidine-1-carbaldehyde;1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is IBBVSXSGMBTUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C5H12N2O.C5H9NO.C2H6/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-4(2)7-5(8)3-6;7-5-6-3-1-2-4-6;1-2/h1-2,4,6,10H,3,5,7,11H2;4H,3,6H2,1-2H3,(H,7,8);5H,1-4H2;1-2H3.
What are the key properties of 2-amino-N-propan-2-ylacetamide;ethane;pyrrolidine-1-carbaldehyde;1,2,3,4-tetrahydronaphthalen-1-amine?
2-amino-N-propan-2-ylacetamide;ethane;pyrrolidine-1-carbaldehyde;1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 392.59 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propan-2-ylacetamide;ethane;pyrrolidine-1-carbaldehyde;1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 143447869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).