6-[[4-[(3-phenylpropylamino)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine

C20H28N4 — CID 163610803

IUPAC6-[[4-[(3-phenylpropylamino)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESNc1cccc(CC2CNCC2CNCCCc2ccccc2)n1
InChIInChI=1S/C20H28N4/c21-20-10-4-9-19(24-20)12-17-13-23-15-18(17)14-22-11-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10,17-18,22-23H,5,8,11-15H2,(H2,21,24)
InChIKeyHFSVROZJQDXPQN-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.26
Rot. Bonds8

About 6-[[4-[(3-phenylpropylamino)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine

6-[[4-[(3-phenylpropylamino)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine (PubChem CID 163610803) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 6-[[4-[(3-phenylpropylamino)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[[4-[(3-phenylpropylamino)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
PubChem CID163610803
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name6-[[4-[(3-phenylpropylamino)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESNc1cccc(CC2CNCC2CNCCCc2ccccc2)n1
InChIInChI=1S/C20H28N4/c21-20-10-4-9-19(24-20)12-17-13-23-15-18(17)14-22-11-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10,17-18,22-23H,5,8,11-15H2,(H2,21,24)
InChIKeyHFSVROZJQDXPQN-UHFFFAOYSA-N
XLogP2.26
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[(3S,4S)-1-(2-aminoethyl)-4-(3-phenylpropylamino)pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride
CID 52942270
6-[[(3S,4R)-4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride
CID 52946780
6-[[(3S,4R)-4-[[(3S)-pyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride
CID 52941903
N'-[4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-N-benzyl-N'-methylethane-1,2-diamine
CID 59721721
N-[(2-methylcyclohexyl)methyl]-3-phenylpropan-1-amine
CID 63454499
N'-[(3S,4S)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-N-benzylethane-1,2-diamine;ethane;tetrahydrochloride
CID 157255731
N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine
CID 114104999
1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-N-methylmethanamine
CID 68835618
N-(chloromethyl)-3-phenylpropan-1-amine
CID 141240015
3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 18414455
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
N-(2-chloroethyl)-3-phenylpropan-1-amine;hydrochloride
CID 141396605

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(3-phenylpropylamino)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 6-[[4-[(3-phenylpropylamino)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine (CID 163610803) is 6-[[4-[(3-phenylpropylamino)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-[[4-[(3-phenylpropylamino)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 6-[[4-[(3-phenylpropylamino)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine is Nc1cccc(CC2CNCC2CNCCCc2ccccc2)n1.
What is the InChIKey of 6-[[4-[(3-phenylpropylamino)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is HFSVROZJQDXPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c21-20-10-4-9-19(24-20)12-17-13-23-15-18(17)14-22-11-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10,17-18,22-23H,5,8,11-15H2,(H2,21,24).
What are the key properties of 6-[[4-[(3-phenylpropylamino)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
6-[[4-[(3-phenylpropylamino)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 324.47 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(3-phenylpropylamino)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 163610803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).