N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine

C13H21N3 — CID 63887449

IUPACN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1ccnc(CN)c1)C1CC1
InChIInChI=1S/C13H21N3/c1-2-7-16(13-3-4-13)10-11-5-6-15-12(8-11)9-14/h5-6,8,13H,2-4,7,9-10,14H2,1H3
InChIKeyZMJZSMWXSBTTSD-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.91
Rot. Bonds6

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

N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine (PubChem CID 63887449) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine
PubChem CID63887449
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1ccnc(CN)c1)C1CC1
InChIInChI=1S/C13H21N3/c1-2-7-16(13-3-4-13)10-11-5-6-15-12(8-11)9-14/h5-6,8,13H,2-4,7,9-10,14H2,1H3
InChIKeyZMJZSMWXSBTTSD-UHFFFAOYSA-N
XLogP1.91
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile
CID 63883631
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethylpropan-1-amine
CID 63887251
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 63887860
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine
CID 63886675
4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline
CID 43270531
4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile
CID 63880798
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine
CID 63887848
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 63886661
2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide
CID 113277725
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 63886876
N-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine
CID 62301725
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine
CID 43270092

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine?
The IUPAC name of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine (CID 63887449) is N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine.
What is the SMILES notation for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine?
The canonical SMILES for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine is CCCN(Cc1ccnc(CN)c1)C1CC1.
What is the InChIKey of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine?
The InChIKey is ZMJZSMWXSBTTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-7-16(13-3-4-13)10-11-5-6-15-12(8-11)9-14/h5-6,8,13H,2-4,7,9-10,14H2,1H3.
What are the key properties of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine?
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine has a molecular weight of 219.33 g/mol, XLogP of 1.91, 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-propylcyclopropanamine is sourced from PubChem (CID 63887449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).