N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethylpropan-1-amine

C12H21N3 — CID 63887251

IUPACN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethylpropan-1-amine
SMILESCCCN(CC)Cc1ccnc(CN)c1
InChIInChI=1S/C12H21N3/c1-3-7-15(4-2)10-11-5-6-14-12(8-11)9-13/h5-6,8H,3-4,7,9-10,13H2,1-2H3
InChIKeyBSFFPLVHPJQQNS-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.77
Rot. Bonds6

About N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethylpropan-1-amine

N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethylpropan-1-amine (PubChem CID 63887251) 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-ethylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethylpropan-1-amine
PubChem CID63887251
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethylpropan-1-amine
SMILESCCCN(CC)Cc1ccnc(CN)c1
InChIInChI=1S/C12H21N3/c1-3-7-15(4-2)10-11-5-6-14-12(8-11)9-13/h5-6,8H,3-4,7,9-10,13H2,1-2H3
InChIKeyBSFFPLVHPJQQNS-UHFFFAOYSA-N
XLogP1.77
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine
CID 63886675
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine
CID 63887449
2-[[2-(aminomethyl)-4-pyridinyl]methyl-ethylamino]-N-methylacetamide
CID 63887456
N-ethyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]propan-1-amine
CID 79260106
4-[[butyl(ethyl)amino]methyl]pyridine-2-carbothioamide
CID 63880501
2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol
CID 62469740
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methylbutan-2-amine
CID 63887639
2-[[2-(aminomethyl)-4-pyridinyl]methyl-methylamino]ethanol
CID 63888237
N-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]ethanamine
CID 62470301
4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyridin-2-amine
CID 55075177
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-methylaniline
CID 63887243
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline
CID 63887475

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethylpropan-1-amine?
The IUPAC name of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethylpropan-1-amine (CID 63887251) is N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethylpropan-1-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethylpropan-1-amine?
The canonical SMILES for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethylpropan-1-amine is CCCN(CC)Cc1ccnc(CN)c1.
What is the InChIKey of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethylpropan-1-amine?
The InChIKey is BSFFPLVHPJQQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-7-15(4-2)10-11-5-6-14-12(8-11)9-13/h5-6,8H,3-4,7,9-10,13H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethylpropan-1-amine?
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 1.77, 6 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-ethylpropan-1-amine is sourced from PubChem (CID 63887251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).