N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-(pyrimidin-5-ylmethyl)methanamine

C15H26N4 — CID 131895239

IUPACN-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-(pyrimidin-5-ylmethyl)methanamine
SMILESCC(C)CN1CCC(CN(C)Cc2cncnc2)C1
InChIInChI=1S/C15H26N4/c1-13(2)8-19-5-4-14(11-19)9-18(3)10-15-6-16-12-17-7-15/h6-7,12-14H,4-5,8-11H2,1-3H3
InChIKeyQWBBMUNAEJBJOW-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.89
Rot. Bonds6

About N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-(pyrimidin-5-ylmethyl)methanamine

N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-(pyrimidin-5-ylmethyl)methanamine (PubChem CID 131895239) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-(pyrimidin-5-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-(pyrimidin-5-ylmethyl)methanamine
PubChem CID131895239
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-(pyrimidin-5-ylmethyl)methanamine
SMILESCC(C)CN1CCC(CN(C)Cc2cncnc2)C1
InChIInChI=1S/C15H26N4/c1-13(2)8-19-5-4-14(11-19)9-18(3)10-15-6-16-12-17-7-15/h6-7,12-14H,4-5,8-11H2,1-3H3
InChIKeyQWBBMUNAEJBJOW-UHFFFAOYSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine
CID 45171143
1-(1-ethylpyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylmethanamine
CID 166673507
N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide
CID 118784045
N-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 134701294
1-[1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 128999142
1-[(3S)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400764
1-[(3R)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400770
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554158
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554122
1-[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129477138
1-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 128967433
N,1,6-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 56908596

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-(pyrimidin-5-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-(pyrimidin-5-ylmethyl)methanamine (CID 131895239) is N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-(pyrimidin-5-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-(pyrimidin-5-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-(pyrimidin-5-ylmethyl)methanamine is CC(C)CN1CCC(CN(C)Cc2cncnc2)C1.
What is the InChIKey of N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-(pyrimidin-5-ylmethyl)methanamine?
The InChIKey is QWBBMUNAEJBJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-13(2)8-19-5-4-14(11-19)9-18(3)10-15-6-16-12-17-7-15/h6-7,12-14H,4-5,8-11H2,1-3H3.
What are the key properties of N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-(pyrimidin-5-ylmethyl)methanamine?
N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-(pyrimidin-5-ylmethyl)methanamine has a molecular weight of 262.40 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-(pyrimidin-5-ylmethyl)methanamine is sourced from PubChem (CID 131895239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).