N,N-dimethyl-1-[(2R,4S)-4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-2-yl]pyrrolidin-3-amine

C18H36N4 — CID 138551911

IUPACN,N-dimethyl-1-[(2R,4S)-4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-2-yl]pyrrolidin-3-amine
SMILESC[C@H](C[C@H](C)N1CC2CCC(C1)N2C)N1CCC(N(C)C)C1
InChIInChI=1S/C18H36N4/c1-14(21-9-8-16(11-21)19(3)4)10-15(2)22-12-17-6-7-18(13-22)20(17)5/h14-18H,6-13H2,1-5H3/t14-,15+,16?,17?,18?/m1/s1
InChIKeyBLURXAGRGAKNMA-DTCXRLIASA-N
MW308.51 g/mol
LogP1.57
Rot. Bonds5

About N,N-dimethyl-1-[(2R,4S)-4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-2-yl]pyrrolidin-3-amine

N,N-dimethyl-1-[(2R,4S)-4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-2-yl]pyrrolidin-3-amine (PubChem CID 138551911) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2R,4S)-4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2R,4S)-4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-2-yl]pyrrolidin-3-amine
PubChem CID138551911
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC NameN,N-dimethyl-1-[(2R,4S)-4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-2-yl]pyrrolidin-3-amine
SMILESC[C@H](C[C@H](C)N1CC2CCC(C1)N2C)N1CCC(N(C)C)C1
InChIInChI=1S/C18H36N4/c1-14(21-9-8-16(11-21)19(3)4)10-15(2)22-12-17-6-7-18(13-22)20(17)5/h14-18H,6-13H2,1-5H3/t14-,15+,16?,17?,18?/m1/s1
InChIKeyBLURXAGRGAKNMA-DTCXRLIASA-N
XLogP1.57
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(2R,4S)-4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-2-yl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[(2R,4S)-4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-2-yl]pyrrolidin-3-amine (CID 138551911) is N,N-dimethyl-1-[(2R,4S)-4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[(2R,4S)-4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[(2R,4S)-4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-2-yl]pyrrolidin-3-amine is C[C@H](C[C@H](C)N1CC2CCC(C1)N2C)N1CCC(N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-[(2R,4S)-4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-2-yl]pyrrolidin-3-amine?
The InChIKey is BLURXAGRGAKNMA-DTCXRLIASA-N. The full InChI is InChI=1S/C18H36N4/c1-14(21-9-8-16(11-21)19(3)4)10-15(2)22-12-17-6-7-18(13-22)20(17)5/h14-18H,6-13H2,1-5H3/t14-,15+,16?,17?,18?/m1/s1.
What are the key properties of N,N-dimethyl-1-[(2R,4S)-4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-2-yl]pyrrolidin-3-amine?
N,N-dimethyl-1-[(2R,4S)-4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-2-yl]pyrrolidin-3-amine has a molecular weight of 308.51 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2R,4S)-4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 138551911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).