N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine

C17H31N3 — CID 62419001

IUPACN-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine
SMILESCN(CCCCCNC(C)(C)C)CCc1ccccn1
InChIInChI=1S/C17H31N3/c1-17(2,3)19-13-7-5-9-14-20(4)15-11-16-10-6-8-12-18-16/h6,8,10,12,19H,5,7,9,11,13-15H2,1-4H3
InChIKeyJIWZNSNZIIBPGS-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.11
Rot. Bonds9

About N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine

N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine (PubChem CID 62419001) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine
PubChem CID62419001
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine
SMILESCN(CCCCCNC(C)(C)C)CCc1ccccn1
InChIInChI=1S/C17H31N3/c1-17(2,3)19-13-7-5-9-14-20(4)15-11-16-10-6-8-12-18-16/h6,8,10,12,19H,5,7,9,11,13-15H2,1-4H3
InChIKeyJIWZNSNZIIBPGS-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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

2-methyl-N-(3-pyridin-2-ylpropyl)propan-2-amine
CID 62549888
5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
CID 61289139
6-chloro-N-methyl-N-(2-pyridin-2-ylethyl)hexan-1-amine
CID 62229678
2-methyl-2-(methylamino)-6-[methyl(2-pyridin-2-ylethyl)amino]hexan-1-ol
CID 64796903
N',2,2-trimethyl-N'-(2-pyridin-2-ylethyl)hexane-1,6-diamine
CID 106707873
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62261769
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
1-amino-2-methyl-5-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 64819411
N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62569303
4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide
CID 63572869
2-methyl-N-[2-(2-pyridin-2-ylethoxy)ethyl]propan-2-amine
CID 62456481

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine (CID 62419001) is N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine is CN(CCCCCNC(C)(C)C)CCc1ccccn1.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine?
The InChIKey is JIWZNSNZIIBPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-17(2,3)19-13-7-5-9-14-20(4)15-11-16-10-6-8-12-18-16/h6,8,10,12,19H,5,7,9,11,13-15H2,1-4H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine?
N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine has a molecular weight of 277.46 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine is sourced from PubChem (CID 62419001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).