N,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine

C17H30N4 — CID 80638573

IUPACN,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine
SMILESCc1cc(CNCC(C)C)cnc1N1CCC(N(C)C)C1
InChIInChI=1S/C17H30N4/c1-13(2)9-18-10-15-8-14(3)17(19-11-15)21-7-6-16(12-21)20(4)5/h8,11,13,16,18H,6-7,9-10,12H2,1-5H3
InChIKeyRUBGYZYWJGYQLG-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.28
Rot. Bonds6

About N,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine

N,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine (PubChem CID 80638573) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine
PubChem CID80638573
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC NameN,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine
SMILESCc1cc(CNCC(C)C)cnc1N1CCC(N(C)C)C1
InChIInChI=1S/C17H30N4/c1-13(2)9-18-10-15-8-14(3)17(19-11-15)21-7-6-16(12-21)20(4)5/h8,11,13,16,18H,6-7,9-10,12H2,1-5H3
InChIKeyRUBGYZYWJGYQLG-UHFFFAOYSA-N
XLogP2.28
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 107083279
2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine
CID 80637065
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80637058
1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 80634867
1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80634466
6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 80630963
1-[5-(aminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80635823
N,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine
CID 83179302
N,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 63168205
N,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine
CID 80630168
N,N-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine
CID 63059689
[1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-4-yl]methanol
CID 80629576

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine (CID 80638573) is N,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine is Cc1cc(CNCC(C)C)cnc1N1CCC(N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine?
The InChIKey is RUBGYZYWJGYQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-13(2)9-18-10-15-8-14(3)17(19-11-15)21-7-6-16(12-21)20(4)5/h8,11,13,16,18H,6-7,9-10,12H2,1-5H3.
What are the key properties of N,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine has a molecular weight of 290.45 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine is sourced from PubChem (CID 80638573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).