N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine

C14H23N3 — CID 81246723

IUPACN-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC1CCN(c2ccncc2CNC(C)C)C1
InChIInChI=1S/C14H23N3/c1-11(2)16-9-13-8-15-6-4-14(13)17-7-5-12(3)10-17/h4,6,8,11-12,16H,5,7,9-10H2,1-3H3
InChIKeyPRPIAUADXWFBDS-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.43
Rot. Bonds4

About N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine

N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81246723) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID81246723
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC1CCN(c2ccncc2CNC(C)C)C1
InChIInChI=1S/C14H23N3/c1-11(2)16-9-13-8-15-6-4-14(13)17-7-5-12(3)10-17/h4,6,8,11-12,16H,5,7,9-10H2,1-3H3
InChIKeyPRPIAUADXWFBDS-UHFFFAOYSA-N
XLogP2.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]pyrrolidin-3-amine
CID 81253767
2-methyl-N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81246270
N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81247566
N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81247460
N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 81247579
N-[[4-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81247761
N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81248359
N-[[4-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81246226
1-[4-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81249384
N-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 102967702
N-methyl-1-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81248115
N-methyl-1-[3-(4-methylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 105072597

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 81246723) is N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine is CC1CCN(c2ccncc2CNC(C)C)C1.
What is the InChIKey of N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is PRPIAUADXWFBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(2)16-9-13-8-15-6-4-14(13)17-7-5-12(3)10-17/h4,6,8,11-12,16H,5,7,9-10H2,1-3H3.
What are the key properties of N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81246723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).