N',N'-dimethyl-N-[5-(3-methylpentan-3-yl)-2-pyridinyl]propane-1,3-diamine

C16H29N3 — CID 70962983

IUPACN',N'-dimethyl-N-[5-(3-methylpentan-3-yl)-2-pyridinyl]propane-1,3-diamine
SMILESCCC(C)(CC)c1ccc(NCCCN(C)C)nc1
InChIInChI=1S/C16H29N3/c1-6-16(3,7-2)14-9-10-15(18-13-14)17-11-8-12-19(4)5/h9-10,13H,6-8,11-12H2,1-5H3,(H,17,18)
InChIKeyNXTFFWFCTTVTDG-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.52
Rot. Bonds8

About N',N'-dimethyl-N-[5-(3-methylpentan-3-yl)-2-pyridinyl]propane-1,3-diamine

N',N'-dimethyl-N-[5-(3-methylpentan-3-yl)-2-pyridinyl]propane-1,3-diamine (PubChem CID 70962983) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N',N'-dimethyl-N-[5-(3-methylpentan-3-yl)-2-pyridinyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[5-(3-methylpentan-3-yl)-2-pyridinyl]propane-1,3-diamine
PubChem CID70962983
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN',N'-dimethyl-N-[5-(3-methylpentan-3-yl)-2-pyridinyl]propane-1,3-diamine
SMILESCCC(C)(CC)c1ccc(NCCCN(C)C)nc1
InChIInChI=1S/C16H29N3/c1-6-16(3,7-2)14-9-10-15(18-13-14)17-11-8-12-19(4)5/h9-10,13H,6-8,11-12H2,1-5H3,(H,17,18)
InChIKeyNXTFFWFCTTVTDG-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide
CID 109154268
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 114011601
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide
CID 113025774
2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261174
N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733
N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide
CID 113010994
N',N'-dimethyl-N-(5-methyl-2-pyridinyl)ethane-1,2-diamine;molecular hydrogen
CID 145001272
5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol
CID 106129039
N-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide
CID 63726875
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730
6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109154237

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[5-(3-methylpentan-3-yl)-2-pyridinyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[5-(3-methylpentan-3-yl)-2-pyridinyl]propane-1,3-diamine (CID 70962983) is N',N'-dimethyl-N-[5-(3-methylpentan-3-yl)-2-pyridinyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[5-(3-methylpentan-3-yl)-2-pyridinyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[5-(3-methylpentan-3-yl)-2-pyridinyl]propane-1,3-diamine is CCC(C)(CC)c1ccc(NCCCN(C)C)nc1.
What is the InChIKey of N',N'-dimethyl-N-[5-(3-methylpentan-3-yl)-2-pyridinyl]propane-1,3-diamine?
The InChIKey is NXTFFWFCTTVTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-16(3,7-2)14-9-10-15(18-13-14)17-11-8-12-19(4)5/h9-10,13H,6-8,11-12H2,1-5H3,(H,17,18).
What are the key properties of N',N'-dimethyl-N-[5-(3-methylpentan-3-yl)-2-pyridinyl]propane-1,3-diamine?
N',N'-dimethyl-N-[5-(3-methylpentan-3-yl)-2-pyridinyl]propane-1,3-diamine has a molecular weight of 263.43 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[5-(3-methylpentan-3-yl)-2-pyridinyl]propane-1,3-diamine is sourced from PubChem (CID 70962983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).