N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine

C17H30N4 — CID 62890085

IUPACN-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccnc1N1CCCC1CN(C)C
InChIInChI=1S/C17H30N4/c1-14(2)11-18-12-15-7-5-9-19-17(15)21-10-6-8-16(21)13-20(3)4/h5,7,9,14,16,18H,6,8,10-13H2,1-4H3
InChIKeyYGKODFFCJCNXJO-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.36
Rot. Bonds7

About N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62890085) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62890085
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccnc1N1CCCC1CN(C)C
InChIInChI=1S/C17H30N4/c1-14(2)11-18-12-15-7-5-9-19-17(15)21-10-6-8-16(21)13-20(3)4/h5,7,9,14,16,18H,6,8,10-13H2,1-4H3
InChIKeyYGKODFFCJCNXJO-UHFFFAOYSA-N
XLogP2.36
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62890085) is N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccnc1N1CCCC1CN(C)C.
What is the InChIKey of N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is YGKODFFCJCNXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-14(2)11-18-12-15-7-5-9-19-17(15)21-10-6-8-16(21)13-20(3)4/h5,7,9,14,16,18H,6,8,10-13H2,1-4H3.
What are the key properties of N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 290.46 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62890085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).