2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide

C14H28N4O — CID 79175374

IUPAC2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide
SMILESCCNC(CCN1CCC2CCC(C1)N2C)C(N)=O
InChIInChI=1S/C14H28N4O/c1-3-16-13(14(15)19)7-9-18-8-6-11-4-5-12(10-18)17(11)2/h11-13,16H,3-10H2,1-2H3,(H2,15,19)
InChIKeyGYZMGJVBMVZFIU-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.01
Rot. Bonds6

About 2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide

2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide (PubChem CID 79175374) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide.

Molecular Properties

Compound Name2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide
PubChem CID79175374
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide
SMILESCCNC(CCN1CCC2CCC(C1)N2C)C(N)=O
InChIInChI=1S/C14H28N4O/c1-3-16-13(14(15)19)7-9-18-8-6-11-4-5-12(10-18)17(11)2/h11-13,16H,3-10H2,1-2H3,(H2,15,19)
InChIKeyGYZMGJVBMVZFIU-UHFFFAOYSA-N
XLogP0.01
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoate
CID 79163894
2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide
CID 55159335
N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79174779
2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexanamide
CID 79163911
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide
CID 63055063
methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate
CID 102966363
2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanamide
CID 79175376
methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate
CID 63028267
2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanamide
CID 63054591
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propylamino)butanamide
CID 81199567
2-(ethylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide
CID 63028337
3-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)propanamide
CID 79183325

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide?
The IUPAC name of 2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide (CID 79175374) is 2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide.
What is the SMILES notation for 2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide?
The canonical SMILES for 2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide is CCNC(CCN1CCC2CCC(C1)N2C)C(N)=O.
What is the InChIKey of 2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide?
The InChIKey is GYZMGJVBMVZFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-3-16-13(14(15)19)7-9-18-8-6-11-4-5-12(10-18)17(11)2/h11-13,16H,3-10H2,1-2H3,(H2,15,19).
What are the key properties of 2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide?
2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide has a molecular weight of 268.40 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide is sourced from PubChem (CID 79175374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).