N,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide

C15H29N3O — CID 62738998

IUPACN,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide
SMILESCCCNC1CC2CCC(C1)N2C(C)C(=O)N(C)C
InChIInChI=1S/C15H29N3O/c1-5-8-16-12-9-13-6-7-14(10-12)18(13)11(2)15(19)17(3)4/h11-14,16H,5-10H2,1-4H3
InChIKeyYGVURLGLOOYMLH-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.46
Rot. Bonds5

About N,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide

N,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide (PubChem CID 62738998) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide
PubChem CID62738998
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide
SMILESCCCNC1CC2CCC(C1)N2C(C)C(=O)N(C)C
InChIInChI=1S/C15H29N3O/c1-5-8-16-12-9-13-6-7-14(10-12)18(13)11(2)15(19)17(3)4/h11-14,16H,5-10H2,1-4H3
InChIKeyYGVURLGLOOYMLH-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
CID 62713460
8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738418
8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738581
methyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate
CID 62739694
N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 62712210
9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63841442
9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714544
8-[1-(4-methylphenyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739866
9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 64642499
N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739307
N-ethyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide
CID 62738654
N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741048

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide?
The IUPAC name of N,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide (CID 62738998) is N,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide?
The canonical SMILES for N,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide is CCCNC1CC2CCC(C1)N2C(C)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide?
The InChIKey is YGVURLGLOOYMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-8-16-12-9-13-6-7-14(10-12)18(13)11(2)15(19)17(3)4/h11-14,16H,5-10H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide?
N,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide has a molecular weight of 267.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide is sourced from PubChem (CID 62738998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).