N-methyl-N-[2-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]ethyl]pentan-1-amine

C19H33N5 — CID 153390447

IUPACN-methyl-N-[2-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]ethyl]pentan-1-amine
SMILESCCCCCN(C)CCc1cnc(N2C3CCC2CN(C)C3)nc1
InChIInChI=1S/C19H33N5/c1-4-5-6-10-22(2)11-9-16-12-20-19(21-13-16)24-17-7-8-18(24)15-23(3)14-17/h12-13,17-18H,4-11,14-15H2,1-3H3
InChIKeyQESYOTVPBLPLLH-UHFFFAOYSA-N
MW331.51 g/mol
LogP2.42
Rot. Bonds8

About N-methyl-N-[2-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]ethyl]pentan-1-amine

N-methyl-N-[2-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]ethyl]pentan-1-amine (PubChem CID 153390447) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is N-methyl-N-[2-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]ethyl]pentan-1-amine
PubChem CID153390447
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC NameN-methyl-N-[2-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]ethyl]pentan-1-amine
SMILESCCCCCN(C)CCc1cnc(N2C3CCC2CN(C)C3)nc1
InChIInChI=1S/C19H33N5/c1-4-5-6-10-22(2)11-9-16-12-20-19(21-13-16)24-17-7-8-18(24)15-23(3)14-17/h12-13,17-18H,4-11,14-15H2,1-3H3
InChIKeyQESYOTVPBLPLLH-UHFFFAOYSA-N
XLogP2.42
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,4-dimethyl-N-[3-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pentyl]pentan-1-amine
CID 171540048
3-methyl-8-[5-[[4-(4-methylpentyl)triazol-1-yl]methyl]pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octane
CID 171539102
N-[2-(4-ethoxyphenyl)ethyl]-N-methylpentan-1-amine
CID 173290456
3-methyl-8-[5-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octane
CID 167109955
1-(5-hexylpyrimidin-2-yl)piperidin-4-amine
CID 103278601
4-[2-[hexyl(methyl)amino]ethyl]aniline
CID 89126369
2-methoxy-N-[6-[4-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]hexyl]acetamide
CID 167109842
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-butyl-N-methylpentan-1-amine
CID 54060013
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]ethyl]pentan-1-amine?
The IUPAC name of N-methyl-N-[2-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]ethyl]pentan-1-amine (CID 153390447) is N-methyl-N-[2-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]ethyl]pentan-1-amine.
What is the SMILES notation for N-methyl-N-[2-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]ethyl]pentan-1-amine?
The canonical SMILES for N-methyl-N-[2-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]ethyl]pentan-1-amine is CCCCCN(C)CCc1cnc(N2C3CCC2CN(C)C3)nc1.
What is the InChIKey of N-methyl-N-[2-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]ethyl]pentan-1-amine?
The InChIKey is QESYOTVPBLPLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5/c1-4-5-6-10-22(2)11-9-16-12-20-19(21-13-16)24-17-7-8-18(24)15-23(3)14-17/h12-13,17-18H,4-11,14-15H2,1-3H3.
What are the key properties of N-methyl-N-[2-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]ethyl]pentan-1-amine?
N-methyl-N-[2-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]ethyl]pentan-1-amine has a molecular weight of 331.51 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]ethyl]pentan-1-amine is sourced from PubChem (CID 153390447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).