N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine

C12H19N3 — CID 63886876

IUPACN-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine
SMILESCN(Cc1ccnc(CN)c1)CC1CC1
InChIInChI=1S/C12H19N3/c1-15(8-10-2-3-10)9-11-4-5-14-12(6-11)7-13/h4-6,10H,2-3,7-9,13H2,1H3
InChIKeyQMDBOQPSLHPGMB-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.38
Rot. Bonds5

About N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine

N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine (PubChem CID 63886876) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine
PubChem CID63886876
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine
SMILESCN(Cc1ccnc(CN)c1)CC1CC1
InChIInChI=1S/C12H19N3/c1-15(8-10-2-3-10)9-11-4-5-14-12(6-11)7-13/h4-6,10H,2-3,7-9,13H2,1H3
InChIKeyQMDBOQPSLHPGMB-UHFFFAOYSA-N
XLogP1.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine?
The IUPAC name of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine (CID 63886876) is N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine.
What is the SMILES notation for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine?
The canonical SMILES for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine is CN(Cc1ccnc(CN)c1)CC1CC1.
What is the InChIKey of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine?
The InChIKey is QMDBOQPSLHPGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-15(8-10-2-3-10)9-11-4-5-14-12(6-11)7-13/h4-6,10H,2-3,7-9,13H2,1H3.
What are the key properties of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine?
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine has a molecular weight of 205.31 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine is sourced from PubChem (CID 63886876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).