N-[[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine

C17H30N4 — CID 62889217

IUPACN-[[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCN(C)CC1CCCN1c1ccnc(CNC(C)(C)C)c1
InChIInChI=1S/C17H30N4/c1-17(2,3)19-12-14-11-15(8-9-18-14)21-10-6-7-16(21)13-20(4)5/h8-9,11,16,19H,6-7,10,12-13H2,1-5H3
InChIKeyWFPFWYPEKLOTQL-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.50
Rot. Bonds5

About N-[[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 62889217) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-[[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID62889217
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN-[[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCN(C)CC1CCCN1c1ccnc(CNC(C)(C)C)c1
InChIInChI=1S/C17H30N4/c1-17(2,3)19-12-14-11-15(8-9-18-14)21-10-6-7-16(21)13-20(4)5/h8-9,11,16,19H,6-7,10,12-13H2,1-5H3
InChIKeyWFPFWYPEKLOTQL-UHFFFAOYSA-N
XLogP2.50
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 65324755
2-methyl-N-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62285764
[1-(2-ethyl-4-pyridinyl)piperidin-2-yl]methanamine
CID 83837398
N-[[4-(3,4-dimethylpiperazin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63621956
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoic acid
CID 102822897
1-[1-(1H-imidazol-2-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 130979094
N-methyl-1-[4-(2-methylpiperidin-1-yl)-2-pyridinyl]methanamine
CID 62286451
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine
CID 80824837
N-[[4-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103539519
[4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine
CID 113441573
N-[[4-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 62285715
2-chloro-4-(2-ethylpyrrolidin-1-yl)pyridine
CID 102824042

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 62889217) is N-[[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine is CN(C)CC1CCCN1c1ccnc(CNC(C)(C)C)c1.
What is the InChIKey of N-[[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is WFPFWYPEKLOTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-17(2,3)19-12-14-11-15(8-9-18-14)21-10-6-7-16(21)13-20(4)5/h8-9,11,16,19H,6-7,10,12-13H2,1-5H3.
What are the key properties of N-[[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 290.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62889217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).