N-(1-cyclopropylbutan-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C16H29N3O — CID 75423432

IUPACN-(1-cyclopropylbutan-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCCC(CC1CC1)NC(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C16H29N3O/c1-3-13(10-12-4-5-12)17-16(20)19-9-8-14-6-7-15(11-19)18(14)2/h12-15H,3-11H2,1-2H3,(H,17,20)
InChIKeyKVBHFPDPEJIIOI-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.44
Rot. Bonds4

About N-(1-cyclopropylbutan-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

N-(1-cyclopropylbutan-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 75423432) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID75423432
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-(1-cyclopropylbutan-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCCC(CC1CC1)NC(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C16H29N3O/c1-3-13(10-12-4-5-12)17-16(20)19-9-8-14-6-7-15(11-19)18(14)2/h12-15H,3-11H2,1-2H3,(H,17,20)
InChIKeyKVBHFPDPEJIIOI-UHFFFAOYSA-N
XLogP2.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 115626438
9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667395
5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid
CID 82846094
(2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid
CID 79165632
propan-2-yl 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 116656597
9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 79116776
2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170525
1-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]prop-2-en-1-one
CID 124671083
(5S)-N-[(2S)-1-cyclopropylbutan-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97223188
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(prop-2-enylamino)ethanone
CID 79278808
3-methyl-2-[[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]methyl]butanoic acid
CID 79165647
3-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63995353

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 75423432) is N-(1-cyclopropylbutan-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is CCC(CC1CC1)NC(=O)N1CCC2CCC(C1)N2C.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is KVBHFPDPEJIIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-13(10-12-4-5-12)17-16(20)19-9-8-14-6-7-15(11-19)18(14)2/h12-15H,3-11H2,1-2H3,(H,17,20).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
N-(1-cyclopropylbutan-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 279.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 75423432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).