N-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine

C17H29N3O — CID 59334322

IUPACN-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
SMILESCC(C)(C)OCCCNC1CCN(Cc2ccccn2)C1
InChIInChI=1S/C17H29N3O/c1-17(2,3)21-12-6-10-19-16-8-11-20(14-16)13-15-7-4-5-9-18-15/h4-5,7,9,16,19H,6,8,10-14H2,1-3H3
InChIKeyGKAMPXMNYMWEBV-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.45
Rot. Bonds7

About N-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine

N-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine (PubChem CID 59334322) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
PubChem CID59334322
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
SMILESCC(C)(C)OCCCNC1CCN(Cc2ccccn2)C1
InChIInChI=1S/C17H29N3O/c1-17(2,3)21-12-6-10-19-16-8-11-20(14-16)13-15-7-4-5-9-18-15/h4-5,7,9,16,19H,6,8,10-14H2,1-3H3
InChIKeyGKAMPXMNYMWEBV-UHFFFAOYSA-N
XLogP2.45
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 60860967
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
tert-butyl N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamate
CID 97174124
2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine
CID 102960286
N-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 75382409
CID 59694740
CID 59694740
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
(2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol
CID 97108511
methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 124732005
N-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 56823418

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of N-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine (CID 59334322) is N-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for N-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine is CC(C)(C)OCCCNC1CCN(Cc2ccccn2)C1.
What is the InChIKey of N-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine?
The InChIKey is GKAMPXMNYMWEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-17(2,3)21-12-6-10-19-16-8-11-20(14-16)13-15-7-4-5-9-18-15/h4-5,7,9,16,19H,6,8,10-14H2,1-3H3.
What are the key properties of N-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine?
N-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine has a molecular weight of 291.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 59334322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).