N-ethyl-N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propanamide

C15H24N4O — CID 103111262

IUPACN-ethyl-N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propanamide
SMILESCCN(C)C(=O)C(C)Nc1ncnc2c1CCCCC2
InChIInChI=1S/C15H24N4O/c1-4-19(3)15(20)11(2)18-14-12-8-6-5-7-9-13(12)16-10-17-14/h10-11H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyYTOVNMQGFICKSA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.02
Rot. Bonds4

About N-ethyl-N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propanamide

N-ethyl-N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propanamide (PubChem CID 103111262) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propanamide
PubChem CID103111262
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-ethyl-N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propanamide
SMILESCCN(C)C(=O)C(C)Nc1ncnc2c1CCCCC2
InChIInChI=1S/C15H24N4O/c1-4-19(3)15(20)11(2)18-14-12-8-6-5-7-9-13(12)16-10-17-14/h10-11H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyYTOVNMQGFICKSA-UHFFFAOYSA-N
XLogP2.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate
CID 62831506
N-tert-butyl-2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanamide
CID 115701936
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 62831516
N,N-diethyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)acetamide
CID 115750983
N-ethyl-N-methyl-2-(quinazolin-4-ylamino)propanamide
CID 103111298
(2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 94878013
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide
CID 103850263
2-ethyl-2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]butanoic acid
CID 115430040
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine
CID 63760989
N-ethyl-2-[(6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 103114097
N-(2-chloro-3-methylbutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 113492831
5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 103113348

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propanamide?
The IUPAC name of N-ethyl-N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propanamide (CID 103111262) is N-ethyl-N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propanamide.
What is the SMILES notation for N-ethyl-N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propanamide?
The canonical SMILES for N-ethyl-N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propanamide is CCN(C)C(=O)C(C)Nc1ncnc2c1CCCCC2.
What is the InChIKey of N-ethyl-N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propanamide?
The InChIKey is YTOVNMQGFICKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-19(3)15(20)11(2)18-14-12-8-6-5-7-9-13(12)16-10-17-14/h10-11H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propanamide?
N-ethyl-N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propanamide is sourced from PubChem (CID 103111262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).