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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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).