N-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine

C17H31N3 — CID 106905878

IUPACN-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine
SMILESCCC(CC)N(C)Cc1cccc(CNCC(C)C)n1
InChIInChI=1S/C17H31N3/c1-6-17(7-2)20(5)13-16-10-8-9-15(19-16)12-18-11-14(3)4/h8-10,14,17-18H,6-7,11-13H2,1-5H3
InChIKeyPIKGLLOBSJPFDE-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.45
Rot. Bonds9

About N-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine

N-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine (PubChem CID 106905878) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine
PubChem CID106905878
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine
SMILESCCC(CC)N(C)Cc1cccc(CNCC(C)C)n1
InChIInChI=1S/C17H31N3/c1-6-17(7-2)20(5)13-16-10-8-9-15(19-16)12-18-11-14(3)4/h8-10,14,17-18H,6-7,11-13H2,1-5H3
InChIKeyPIKGLLOBSJPFDE-UHFFFAOYSA-N
XLogP3.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpentan-3-amine
CID 106905876
2-methyl-N-[[6-[[methyl(propyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905697
N-methyl-6-[[methyl(pentan-3-yl)amino]methyl]pyridin-2-amine
CID 79243618
N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine
CID 106907072
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine
CID 106905884
N-[[6-[[methyl(propan-2-yl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905577
N-[(6-chloro-2-pyridinyl)methyl]-N-methylpentan-3-amine
CID 79240734
6-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyridin-2-amine
CID 79243531
N-methyl-6-[(2-methylpropylamino)methyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62284159
2-methyl-N-[[6-(2-propoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106908350
N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,4-dimethylpentan-2-amine
CID 106906400
N-[[6-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106906951

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine?
The IUPAC name of N-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine (CID 106905878) is N-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine.
What is the SMILES notation for N-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine?
The canonical SMILES for N-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine is CCC(CC)N(C)Cc1cccc(CNCC(C)C)n1.
What is the InChIKey of N-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine?
The InChIKey is PIKGLLOBSJPFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-6-17(7-2)20(5)13-16-10-8-9-15(19-16)12-18-11-14(3)4/h8-10,14,17-18H,6-7,11-13H2,1-5H3.
What are the key properties of N-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine?
N-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine has a molecular weight of 277.46 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine is sourced from PubChem (CID 106905878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).