N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C18H29N3 — CID 43131729

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(C)Cc1ccccc1CNC1CC2CCC(C1)N2C
InChIInChI=1S/C18H29N3/c1-20(2)13-15-7-5-4-6-14(15)12-19-16-10-17-8-9-18(11-16)21(17)3/h4-7,16-19H,8-13H2,1-3H3
InChIKeyIKCMFTWZLMPJRD-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.46
Rot. Bonds5

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43131729) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43131729
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(C)Cc1ccccc1CNC1CC2CCC(C1)N2C
InChIInChI=1S/C18H29N3/c1-20(2)13-15-7-5-4-6-14(15)12-19-16-10-17-8-9-18(11-16)21(17)3/h4-7,16-19H,8-13H2,1-3H3
InChIKeyIKCMFTWZLMPJRD-UHFFFAOYSA-N
XLogP2.46
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 43131729) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN(C)Cc1ccccc1CNC1CC2CCC(C1)N2C.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is IKCMFTWZLMPJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-20(2)13-15-7-5-4-6-14(15)12-19-16-10-17-8-9-18(11-16)21(17)3/h4-7,16-19H,8-13H2,1-3H3.
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 287.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43131729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).