N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methylbutan-2-amine

C12H21N3 — CID 63887639

IUPACN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)Cc1ccnc(CN)c1
InChIInChI=1S/C12H21N3/c1-4-10(2)15(3)9-11-5-6-14-12(7-11)8-13/h5-7,10H,4,8-9,13H2,1-3H3
InChIKeySRSLXQNZFMDVMK-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.77
Rot. Bonds5

About N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methylbutan-2-amine

N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methylbutan-2-amine (PubChem CID 63887639) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methylbutan-2-amine
PubChem CID63887639
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)Cc1ccnc(CN)c1
InChIInChI=1S/C12H21N3/c1-4-10(2)15(3)9-11-5-6-14-12(7-11)8-13/h5-7,10H,4,8-9,13H2,1-3H3
InChIKeySRSLXQNZFMDVMK-UHFFFAOYSA-N
XLogP1.77
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.77
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]-N-methylbutan-2-amine?
The IUPAC name of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methylbutan-2-amine (CID 63887639) is N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methylbutan-2-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methylbutan-2-amine?
The canonical SMILES for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methylbutan-2-amine is CCC(C)N(C)Cc1ccnc(CN)c1.
What is the InChIKey of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methylbutan-2-amine?
The InChIKey is SRSLXQNZFMDVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-10(2)15(3)9-11-5-6-14-12(7-11)8-13/h5-7,10H,4,8-9,13H2,1-3H3.
What are the key properties of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methylbutan-2-amine?
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methylbutan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 1.77, 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]-N-methylbutan-2-amine is sourced from PubChem (CID 63887639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).