N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine

C13H21N3 — CID 62285745

IUPACN-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C13H21N3/c1-2-6-14-11-12-5-7-15-13(10-12)16-8-3-4-9-16/h5,7,10,14H,2-4,6,8-9,11H2,1H3
InChIKeyPRTLDQYHHJILGV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.18
Rot. Bonds5

About N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine

N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine (PubChem CID 62285745) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
PubChem CID62285745
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C13H21N3/c1-2-6-14-11-12-5-7-15-13(10-12)16-8-3-4-9-16/h5,7,10,14H,2-4,6,8-9,11H2,1H3
InChIKeyPRTLDQYHHJILGV-UHFFFAOYSA-N
XLogP2.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62285719
N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114412468
N-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 55059346
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
N-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62287493
N-[[2-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114539900
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62284463
1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine
CID 163367035
4-[[[2-(azepan-1-yl)-4-pyridinyl]methylamino]methyl]benzonitrile
CID 119125452
N-[[2-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine
CID 62932701
1-butyl-2-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111150623
2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol
CID 163366722

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine (CID 62285745) is N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine is CCCNCc1ccnc(N2CCCC2)c1.
What is the InChIKey of N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is PRTLDQYHHJILGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-6-14-11-12-5-7-15-13(10-12)16-8-3-4-9-16/h5,7,10,14H,2-4,6,8-9,11H2,1H3.
What are the key properties of N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine?
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 62285745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).